[1-(4-methoxyphenyl)-1-oxidanylidene-3-(1,2,4-triazol-1-yl)propan-2-yl] N,N-diethylcarbamodithioate

Systemtic Name: [1-(4-methoxyphenyl)-1-oxidanylidene-3-(1,2,4-triazol-1-yl)propan-2-yl] N,N-diethylcarbamodithioate Openeye Name: [2-(4-methoxyphenyl)-2-oxo-1-(1,2,4-triazol-1-ylmethyl)ethyl] N,N-diethylcarbamodithioate CAS Name: N,N-diethylcarbamodithioic acid [1-(4-methoxyphenyl)-1-oxo-3-(1,2,4-triazol-1-yl)propan-2-yl] ester IUPAC Name: [1-(4-methoxyphenyl)-1-oxo-3-(1,2,4-triazol-1-yl)propan-2-yl] N,N-diethylcarbamodithioate Traditional Name: N,N-diethylcarbamodithioic acid [2-keto-2-(4-methoxyphenyl)-1-(1,2,4-triazol-1-ylmethyl)ethyl] ester Formula: C17H22N4O2S2 MolecularWeight: 378.51218

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=S)SC(CN1C=NC=N1)C(=O)C2=CC=C(C=C2)OC

Isomeric SMILES

CCN(CC)C(=S)SC(CN1C=NC=N1)C(=O)C2=CC=C(C=C2)OC

InChI

InChI=1S/C17H22N4O2S2/c1-4-20(5-2)17(24)25-15(10-21-12-18-11-19-21)16(22)13-6-8-14(23-3)9-7-13/h6-9,11-12,15H,4-5,10H2,1-3H3