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

Systemtic Name: 1-[4-[4-[(4-cyclopropyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperazin-1-yl]phenyl]ethanone Openeye Name: 1-[4-[4-[(4-cyclopropyl-5-thioxo-1,2,4-triazol-1-yl)methyl]piperazin-1-yl]phenyl]ethanone CAS Name: 1-[4-[4-[(4-cyclopropyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-1-piperazinyl]phenyl]ethanone IUPAC Name: 1-[4-[4-[(4-cyclopropyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperazin-1-yl]phenyl]ethanone Traditional Name: 1-[4-[4-[(4-cyclopropyl-5-thioxo-1,2,4-triazol-1-yl)methyl]piperazino]phenyl]ethanone Formula: C18H23N5OS MolecularWeight: 357.47312

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)CN3C(=S)N(C=N3)C4CC4

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)CN3C(=S)N(C=N3)C4CC4

InChI

InChI=1S/C18H23N5OS/c1-14(24)15-2-4-16(5-3-15)21-10-8-20(9-11-21)13-23-18(25)22(12-19-23)17-6-7-17/h2-5,12,17H,6-11,13H2,1H3