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

Systemtic Name: 5-azanyl-1-[2-[(4-methoxyphenyl)amino]-2-oxidanylidene-ethyl]-N-(thiophen-2-ylmethyl)-1,2,3-triazole-4-carboxamide Openeye Name: 5-amino-1-[2-(4-methoxyanilino)-2-oxo-ethyl]-N-(2-thienylmethyl)triazole-4-carboxamide CAS Name: 5-amino-1-[2-(4-methoxyanilino)-2-oxoethyl]-N-(thiophen-2-ylmethyl)-4-triazolecarboxamide IUPAC Name: 5-amino-1-[2-(4-methoxyanilino)-2-oxoethyl]-N-(thiophen-2-ylmethyl)triazole-4-carboxamide Traditional Name: 5-amino-1-[2-keto-2-(p-anisidino)ethyl]-N-(2-thenyl)triazole-4-carboxamide Formula: C17H18N6O3S MolecularWeight: 386.42822

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)CN2C(=C(N=N2)C(=O)NCC3=CC=CS3)N

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)CN2C(=C(N=N2)C(=O)NCC3=CC=CS3)N

InChI

InChI=1S/C17H18N6O3S/c1-26-12-6-4-11(5-7-12)20-14(24)10-23-16(18)15(21-22-23)17(25)19-9-13-3-2-8-27-13/h2-8H,9-10,18H2,1H3,(H,19,25)(H,20,24)