4-chloranyl-N-[6-ethyl-3-(furan-2-ylmethylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-methyl-pyrazole-3-carboxamide

Systemtic Name: 4-chloranyl-N-[6-ethyl-3-(furan-2-ylmethylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-methyl-pyrazole-3-carboxamide Openeye Name: 4-chloro-N-[6-ethyl-3-(2-furylmethylcarbamoyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-methyl-pyrazole-3-carboxamide CAS Name: 4-chloro-N-[6-ethyl-3-[(2-furanylmethylamino)-oxomethyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-methyl-3-pyrazolecarboxamide IUPAC Name: 4-chloro-N-[6-ethyl-3-(furan-2-ylmethylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-methylpyrazole-3-carboxamide Traditional Name: 4-chloro-N-[6-ethyl-3-(2-furfurylcarbamoyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-methyl-pyrazole-3-carboxamide Formula: C21H23ClN4O3S MolecularWeight: 446.95032

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC2=C(C1)SC(=C2C(=O)NCC3=CC=CO3)NC(=O)C4=C(C=NN4C)Cl

Isomeric SMILES

CCC1CCC2=C(C1)SC(=C2C(=O)NCC3=CC=CO3)NC(=O)C4=C(C=NN4C)Cl

InChI

InChI=1S/C21H23ClN4O3S/c1-3-12-6-7-14-16(9-12)30-21(25-20(28)18-15(22)11-24-26(18)2)17(14)19(27)23-10-13-5-4-8-29-13/h4-5,8,11-12H,3,6-7,9-10H2,1-2H3,(H,23,27)(H,25,28)