1-[2-[(3-methylphenyl)methylamino]ethyl]-N-(thiophen-2-ylmethyl)-1,2,3-triazole-4-carboxamide

Systemtic Name: 1-[2-[(3-methylphenyl)methylamino]ethyl]-N-(thiophen-2-ylmethyl)-1,2,3-triazole-4-carboxamide Openeye Name: 1-[2-(m-tolylmethylamino)ethyl]-N-(2-thienylmethyl)triazole-4-carboxamide CAS Name: 1-[2-[(3-methylphenyl)methylamino]ethyl]-N-(thiophen-2-ylmethyl)-4-triazolecarboxamide IUPAC Name: 1-[2-[(3-methylphenyl)methylamino]ethyl]-N-(thiophen-2-ylmethyl)triazole-4-carboxamide Traditional Name: 1-[2-[(3-methylbenzyl)amino]ethyl]-N-(2-thenyl)triazole-4-carboxamide Formula: C18H21N5OS MolecularWeight: 355.45724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CNCCN2C=C(N=N2)C(=O)NCC3=CC=CS3

Isomeric SMILES

CC1=CC(=CC=C1)CNCCN2C=C(N=N2)C(=O)NCC3=CC=CS3

InChI

InChI=1S/C18H21N5OS/c1-14-4-2-5-15(10-14)11-19-7-8-23-13-17(21-22-23)18(24)20-12-16-6-3-9-25-16/h2-6,9-10,13,19H,7-8,11-12H2,1H3,(H,20,24)