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

Systemtic Name: [1-oxidanylidene-1-phenyl-3-(1,2,4-triazol-1-yl)propan-2-yl] N,N-diethylcarbamodithioate Openeye Name: [2-oxo-2-phenyl-1-(1,2,4-triazol-1-ylmethyl)ethyl] N,N-diethylcarbamodithioate CAS Name: N,N-diethylcarbamodithioic acid [1-oxo-1-phenyl-3-(1,2,4-triazol-1-yl)propan-2-yl] ester IUPAC Name: [1-oxo-1-phenyl-3-(1,2,4-triazol-1-yl)propan-2-yl] N,N-diethylcarbamodithioate Traditional Name: N,N-diethylcarbamodithioic acid [2-keto-2-phenyl-1-(1,2,4-triazol-1-ylmethyl)ethyl] ester Formula: C16H20N4OS2 MolecularWeight: 348.4862

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N4OS2/c1-3-19(4-2)16(22)23-14(10-20-12-17-11-18-20)15(21)13-8-6-5-7-9-13/h5-9,11-12,14H,3-4,10H2,1-2H3