1-[4-[4-[(4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperazin-1-yl]phenyl]ethanone

Systemtic Name: 1-[4-[4-[(4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperazin-1-yl]phenyl]ethanone Openeye Name: 1-[4-[4-[(4-phenyl-5-thioxo-1,2,4-triazol-1-yl)methyl]piperazin-1-yl]phenyl]ethanone CAS Name: 1-[4-[4-[(4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-1-piperazinyl]phenyl]ethanone IUPAC Name: 1-[4-[4-[(4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperazin-1-yl]phenyl]ethanone Traditional Name: 1-[4-[4-[(4-phenyl-5-thioxo-1,2,4-triazol-1-yl)methyl]piperazino]phenyl]ethanone Formula: C21H23N5OS MolecularWeight: 393.50522

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)CN3C(=S)N(C=N3)C4=CC=CC=C4

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)CN3C(=S)N(C=N3)C4=CC=CC=C4

InChI

InChI=1S/C21H23N5OS/c1-17(27)18-7-9-19(10-8-18)24-13-11-23(12-14-24)16-26-21(28)25(15-22-26)20-5-3-2-4-6-20/h2-10,15H,11-14,16H2,1H3