N-[3-(methylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-(3-methyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)-1,2-dihydropyrazole-3-carboxamide

Systemtic Name: N-[3-(methylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-(3-methyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)-1,2-dihydropyrazole-3-carboxamide Openeye Name: N-[3-(methylcarbamoyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]-5-(3-methyl-6-oxo-cyclohexa-2,4-dien-1-ylidene)-1,2-dihydropyrazole-3-carboxamide CAS Name: N-[3-(methylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-(3-methyl-6-oxo-1-cyclohexa-2,4-dienylidene)-1,2-dihydropyrazole-3-carboxamide IUPAC Name: N-[3-(methylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-(3-methyl-6-oxocyclohexa-2,4-dien-1-ylidene)-1,2-dihydropyrazole-3-carboxamide Traditional Name: 5-(6-keto-3-methyl-cyclohexa-2,4-dien-1-ylidene)-N-[3-(methylcarbamoyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]-3-pyrazoline-3-carboxamide Formula: C21H22N4O3S MolecularWeight: 410.48938

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C=C(NN2)C(=O)NC3=C(C4=C(S3)CCCC4)C(=O)NC)C(=O)C=C1

Isomeric SMILES

CC1=CC(=C2C=C(NN2)C(=O)NC3=C(C4=C(S3)CCCC4)C(=O)NC)C(=O)C=C1

InChI

InChI=1S/C21H22N4O3S/c1-11-7-8-16(26)13(9-11)14-10-15(25-24-14)19(27)23-21-18(20(28)22-2)12-5-3-4-6-17(12)29-21/h7-10,24-25H,3-6H2,1-2H3,(H,22,28)(H,23,27)