5-(3-methylphenyl)-4-[2-oxidanylidene-2-(prop-2-ynylamino)ethyl]-1,2,4-triazole-3-thiolate

Systemtic Name: 5-(3-methylphenyl)-4-[2-oxidanylidene-2-(prop-2-ynylamino)ethyl]-1,2,4-triazole-3-thiolate Openeye Name: 5-(m-tolyl)-4-[2-oxo-2-(prop-2-ynylamino)ethyl]-1,2,4-triazole-3-thiolate CAS Name: 5-(3-methylphenyl)-4-[2-oxo-2-(prop-2-ynylamino)ethyl]-1,2,4-triazole-3-thiolate IUPAC Name: 5-(3-methylphenyl)-4-[2-oxo-2-(prop-2-ynylamino)ethyl]-1,2,4-triazole-3-thiolate Traditional Name: 4-[2-keto-2-(propargylamino)ethyl]-5-(m-tolyl)-1,2,4-triazole-3-thiolate Formula: C14H13N4OS- MolecularWeight: 285.34422

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NN=C(N2CC(=O)NCC#C)[S-]

Isomeric SMILES

CC1=CC=CC(=C1)C2=NN=C(N2CC(=O)NCC#C)[S-]

InChI

InChI=1S/C14H14N4OS/c1-3-7-15-12(19)9-18-13(16-17-14(18)20)11-6-4-5-10(2)8-11/h1,4-6,8H,7,9H2,2H3,(H,15,19)(H,17,20)/p-1