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

Systemtic Name: 1-[4-[3-(4-propoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]phenyl]ethanone Openeye Name: 1-[4-[3-(4-propoxyphenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]phenyl]ethanone CAS Name: 1-[4-[3-(4-propoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]phenyl]ethanone IUPAC Name: 1-[4-[3-(4-propoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]phenyl]ethanone Traditional Name: 1-[4-[3-(4-propoxyphenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]phenyl]ethanone Formula: C19H19N3O2S MolecularWeight: 353.43806

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C2=NNC(=S)N2C3=CC=C(C=C3)C(=O)C

Isomeric SMILES

CCCOC1=CC=C(C=C1)C2=NNC(=S)N2C3=CC=C(C=C3)C(=O)C

InChI

InChI=1S/C19H19N3O2S/c1-3-12-24-17-10-6-15(7-11-17)18-20-21-19(25)22(18)16-8-4-14(5-9-16)13(2)23/h4-11H,3,12H2,1-2H3,(H,21,25)