4-[2-[(4-methoxycarbonylphenyl)methyl-methyl-amino]-2-oxidanylidene-ethyl]-5-(3-methylphenyl)-1,2,4-triazole-3-thiolate

Systemtic Name: 4-[2-[(4-methoxycarbonylphenyl)methyl-methyl-amino]-2-oxidanylidene-ethyl]-5-(3-methylphenyl)-1,2,4-triazole-3-thiolate Openeye Name: 4-[2-[(4-methoxycarbonylphenyl)methyl-methyl-amino]-2-oxo-ethyl]-5-(m-tolyl)-1,2,4-triazole-3-thiolate CAS Name: 4-[2-[(4-methoxycarbonylphenyl)methyl-methylamino]-2-oxoethyl]-5-(3-methylphenyl)-1,2,4-triazole-3-thiolate IUPAC Name: 4-[2-[(4-methoxycarbonylphenyl)methyl-methylamino]-2-oxoethyl]-5-(3-methylphenyl)-1,2,4-triazole-3-thiolate Traditional Name: 4-[2-[(4-carbomethoxybenzyl)-methyl-amino]-2-keto-ethyl]-5-(m-tolyl)-1,2,4-triazole-3-thiolate Formula: C21H21N4O3S- MolecularWeight: 409.48144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NN=C(N2CC(=O)N(C)CC3=CC=C(C=C3)C(=O)OC)[S-]

Isomeric SMILES

CC1=CC=CC(=C1)C2=NN=C(N2CC(=O)N(C)CC3=CC=C(C=C3)C(=O)OC)[S-]

InChI

InChI=1S/C21H22N4O3S/c1-14-5-4-6-17(11-14)19-22-23-21(29)25(19)13-18(26)24(2)12-15-7-9-16(10-8-15)20(27)28-3/h4-11H,12-13H2,1-3H3,(H,23,29)/p-1