1-[3-(3,4-dimethoxyphenyl)-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]ethanone

Systemtic Name: 1-[3-(3,4-dimethoxyphenyl)-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]ethanone Openeye Name: 1-[3-(3,4-dimethoxyphenyl)-4-phenyl-5-thioxo-1,2,4-triazol-1-yl]ethanone CAS Name: 1-[3-(3,4-dimethoxyphenyl)-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]ethanone IUPAC Name: 1-[3-(3,4-dimethoxyphenyl)-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]ethanone Traditional Name: 1-[3-(3,4-dimethoxyphenyl)-4-phenyl-5-thioxo-1,2,4-triazol-1-yl]ethanone Formula: C18H17N3O3S MolecularWeight: 355.41088

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C(=S)N(C(=N1)C2=CC(=C(C=C2)OC)OC)C3=CC=CC=C3

Isomeric SMILES

CC(=O)N1C(=S)N(C(=N1)C2=CC(=C(C=C2)OC)OC)C3=CC=CC=C3

InChI

InChI=1S/C18H17N3O3S/c1-12(22)21-18(25)20(14-7-5-4-6-8-14)17(19-21)13-9-10-15(23-2)16(11-13)24-3/h4-11H,1-3H3