N-[(E)-(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methylideneamino]-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide

Systemtic Name: N-[(E)-(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methylideneamino]-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide Openeye Name: N-[(E)-(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methyleneamino]-5-methyl-4,5,6,7-tetrahydrobenzothiophene-2-carboxamide CAS Name: N-[(E)-(5-chloro-3-methyl-1-phenyl-4-pyrazolyl)methylideneamino]-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide IUPAC Name: N-[(E)-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylideneamino]-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide Traditional Name: N-[(E)-(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methyleneamino]-5-methyl-4,5,6,7-tetrahydrobenzothiophene-2-carboxamide Formula: C21H21ClN4OS MolecularWeight: 412.93564

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)C=C(S2)C(=O)NN=CC3=C(N(N=C3C)C4=CC=CC=C4)Cl

Isomeric SMILES

CC1CCC2=C(C1)C=C(S2)C(=O)N/N=C/C3=C(N(N=C3C)C4=CC=CC=C4)Cl

InChI

InChI=1S/C21H21ClN4OS/c1-13-8-9-18-15(10-13)11-19(28-18)21(27)24-23-12-17-14(2)25-26(20(17)22)16-6-4-3-5-7-16/h3-7,11-13H,8-10H2,1-2H3,(H,24,27)/b23-12+