N-[2-(1-methylimidazol-2-yl)sulfanylethyl]-1-[(2-methylphenyl)methyl]-1,2,3-triazole-4-carboxamide

Systemtic Name: N-[2-(1-methylimidazol-2-yl)sulfanylethyl]-1-[(2-methylphenyl)methyl]-1,2,3-triazole-4-carboxamide Openeye Name: N-[2-(1-methylimidazol-2-yl)sulfanylethyl]-1-(o-tolylmethyl)triazole-4-carboxamide CAS Name: N-[2-[(1-methyl-2-imidazolyl)thio]ethyl]-1-[(2-methylphenyl)methyl]-4-triazolecarboxamide IUPAC Name: N-[2-(1-methylimidazol-2-yl)sulfanylethyl]-1-[(2-methylphenyl)methyl]triazole-4-carboxamide Traditional Name: 1-(2-methylbenzyl)-N-[2-[(1-methylimidazol-2-yl)thio]ethyl]triazole-4-carboxamide Formula: C17H20N6OS MolecularWeight: 356.4453

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2C=C(N=N2)C(=O)NCCSC3=NC=CN3C

Isomeric SMILES

CC1=CC=CC=C1CN2C=C(N=N2)C(=O)NCCSC3=NC=CN3C

InChI

InChI=1S/C17H20N6OS/c1-13-5-3-4-6-14(13)11-23-12-15(20-21-23)16(24)18-8-10-25-17-19-7-9-22(17)2/h3-7,9,12H,8,10-11H2,1-2H3,(H,18,24)