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

Systemtic Name: 1-[4-[4-[(3-methyl-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperazin-1-yl]phenyl]ethanone Openeye Name: 1-[4-[4-[(3-methyl-4-phenyl-5-thioxo-1,2,4-triazol-1-yl)methyl]piperazin-1-yl]phenyl]ethanone CAS Name: 1-[4-[4-[(3-methyl-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-1-piperazinyl]phenyl]ethanone IUPAC Name: 1-[4-[4-[(3-methyl-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperazin-1-yl]phenyl]ethanone Traditional Name: 1-[4-[4-[(3-methyl-4-phenyl-5-thioxo-1,2,4-triazol-1-yl)methyl]piperazino]phenyl]ethanone Formula: C22H25N5OS MolecularWeight: 407.5318

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=S)N1C2=CC=CC=C2)CN3CCN(CC3)C4=CC=C(C=C4)C(=O)C

Isomeric SMILES

CC1=NN(C(=S)N1C2=CC=CC=C2)CN3CCN(CC3)C4=CC=C(C=C4)C(=O)C

InChI

InChI=1S/C22H25N5OS/c1-17(28)19-8-10-20(11-9-19)25-14-12-24(13-15-25)16-26-22(29)27(18(2)23-26)21-6-4-3-5-7-21/h3-11H,12-16H2,1-2H3