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

Systemtic Name: 5-(4-methoxyphenyl)-4-[2-oxidanylidene-2-(prop-2-ynylamino)ethyl]-1,2,4-triazole-3-thiolate Openeye Name: 5-(4-methoxyphenyl)-4-[2-oxo-2-(prop-2-ynylamino)ethyl]-1,2,4-triazole-3-thiolate CAS Name: 5-(4-methoxyphenyl)-4-[2-oxo-2-(prop-2-ynylamino)ethyl]-1,2,4-triazole-3-thiolate IUPAC Name: 5-(4-methoxyphenyl)-4-[2-oxo-2-(prop-2-ynylamino)ethyl]-1,2,4-triazole-3-thiolate Traditional Name: 4-[2-keto-2-(propargylamino)ethyl]-5-(4-methoxyphenyl)-1,2,4-triazole-3-thiolate Formula: C14H13N4O2S- MolecularWeight: 301.34362

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN=C(N2CC(=O)NCC#C)[S-]

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN=C(N2CC(=O)NCC#C)[S-]

InChI

InChI=1S/C14H14N4O2S/c1-3-8-15-12(19)9-18-13(16-17-14(18)21)10-4-6-11(20-2)7-5-10/h1,4-7H,8-9H2,2H3,(H,15,19)(H,17,21)/p-1