N-(3-aminocarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-[2-(dicyanomethylidene)hydrazinyl]-3-phenylazanyl-1H-pyrazole-4-carboxamide

Systemtic Name: N-(3-aminocarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-[2-(dicyanomethylidene)hydrazinyl]-3-phenylazanyl-1H-pyrazole-4-carboxamide Openeye Name: 3-anilino-N-(3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-5-[2-(dicyanomethylene)hydrazino]-1H-pyrazole-4-carboxamide CAS Name: 3-anilino-N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-[2-(dicyanomethylidene)hydrazinyl]-1H-pyrazole-4-carboxamide IUPAC Name: 3-anilino-N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-[2-(dicyanomethylidene)hydrazinyl]-1H-pyrazole-4-carboxamide Traditional Name: 3-anilino-N-(3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-5-[N'-(dicyanomethylene)hydrazino]-1H-pyrazole-4-carboxamide Formula: C22H19N9O2S MolecularWeight: 473.51036

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=C(NN=C3NC4=CC=CC=C4)NN=C(C#N)C#N)C(=O)N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=C(NN=C3NC4=CC=CC=C4)NN=C(C#N)C#N)C(=O)N

InChI

InChI=1S/C22H19N9O2S/c23-10-13(11-24)28-30-20-17(19(29-31-20)26-12-6-2-1-3-7-12)21(33)27-22-16(18(25)32)14-8-4-5-9-15(14)34-22/h1-3,6-7H,4-5,8-9H2,(H2,25,32)(H,27,33)(H3,26,29,30,31)