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

Systemtic Name: 5-azanyl-1-[2-[(4-ethylphenyl)amino]-2-oxidanylidene-ethyl]-N-(thiophen-2-ylmethyl)-1,2,3-triazole-4-carboxamide Openeye Name: 5-amino-1-[2-(4-ethylanilino)-2-oxo-ethyl]-N-(2-thienylmethyl)triazole-4-carboxamide CAS Name: 5-amino-1-[2-(4-ethylanilino)-2-oxoethyl]-N-(thiophen-2-ylmethyl)-4-triazolecarboxamide IUPAC Name: 5-amino-1-[2-(4-ethylanilino)-2-oxoethyl]-N-(thiophen-2-ylmethyl)triazole-4-carboxamide Traditional Name: 5-amino-1-[2-(4-ethylanilino)-2-keto-ethyl]-N-(2-thenyl)triazole-4-carboxamide Formula: C18H20N6O2S MolecularWeight: 384.4554

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)CN2C(=C(N=N2)C(=O)NCC3=CC=CS3)N

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)CN2C(=C(N=N2)C(=O)NCC3=CC=CS3)N

InChI

InChI=1S/C18H20N6O2S/c1-2-12-5-7-13(8-6-12)21-15(25)11-24-17(19)16(22-23-24)18(26)20-10-14-4-3-9-27-14/h3-9H,2,10-11,19H2,1H3,(H,20,26)(H,21,25)