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

Systemtic Name: 1-[4-[(5-phenyl-3-sulfanylidene-1H-1,2,4-triazol-2-yl)methylamino]phenyl]ethanone Openeye Name: 1-[4-[(5-phenyl-3-thioxo-1H-1,2,4-triazol-2-yl)methylamino]phenyl]ethanone CAS Name: 1-[4-[(5-phenyl-3-sulfanylidene-1H-1,2,4-triazol-2-yl)methylamino]phenyl]ethanone IUPAC Name: 1-[4-[(5-phenyl-3-sulfanylidene-1H-1,2,4-triazol-2-yl)methylamino]phenyl]ethanone Traditional Name: 1-[4-[(5-phenyl-3-thioxo-1H-1,2,4-triazol-2-yl)methylamino]phenyl]ethanone Formula: C17H16N4OS MolecularWeight: 324.40014

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)NCN2C(=S)N=C(N2)C3=CC=CC=C3

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)NCN2C(=S)N=C(N2)C3=CC=CC=C3

InChI

InChI=1S/C17H16N4OS/c1-12(22)13-7-9-15(10-8-13)18-11-21-17(23)19-16(20-21)14-5-3-2-4-6-14/h2-10,18H,11H2,1H3,(H,19,20,23)