5-azanyl-1-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]-N-(thiophen-2-ylmethyl)-1,2,3-triazole-4-carboxamide

Systemtic Name: 5-azanyl-1-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]-N-(thiophen-2-ylmethyl)-1,2,3-triazole-4-carboxamide Openeye Name: 5-amino-1-[2-(4-methylanilino)-2-oxo-ethyl]-N-(2-thienylmethyl)triazole-4-carboxamide CAS Name: 5-amino-1-[2-(4-methylanilino)-2-oxoethyl]-N-(thiophen-2-ylmethyl)-4-triazolecarboxamide IUPAC Name: 5-amino-1-[2-(4-methylanilino)-2-oxoethyl]-N-(thiophen-2-ylmethyl)triazole-4-carboxamide Traditional Name: 5-amino-1-[2-keto-2-(p-toluidino)ethyl]-N-(2-thenyl)triazole-4-carboxamide Formula: C17H18N6O2S MolecularWeight: 370.42882

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CN2C(=C(N=N2)C(=O)NCC3=CC=CS3)N

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CN2C(=C(N=N2)C(=O)NCC3=CC=CS3)N

InChI

InChI=1S/C17H18N6O2S/c1-11-4-6-12(7-5-11)20-14(24)10-23-16(18)15(21-22-23)17(25)19-9-13-3-2-8-26-13/h2-8H,9-10,18H2,1H3,(H,19,25)(H,20,24)