2-[[5-methyl-4-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-phenylpiperazin-1-yl)propan-1-one

Systemtic Name: 2-[[5-methyl-4-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-phenylpiperazin-1-yl)propan-1-one Openeye Name: 2-[[5-methyl-4-(m-tolyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-phenylpiperazin-1-yl)propan-1-one CAS Name: 2-[[5-methyl-4-(3-methylphenyl)-1,2,4-triazol-3-yl]thio]-1-(4-phenyl-1-piperazinyl)-1-propanone IUPAC Name: 2-[[5-methyl-4-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-phenylpiperazin-1-yl)propan-1-one Traditional Name: 2-[[5-methyl-4-(m-tolyl)-1,2,4-triazol-3-yl]thio]-1-(4-phenylpiperazino)propan-1-one Formula: C23H27N5OS MolecularWeight: 421.55838

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=NN=C2SC(C)C(=O)N3CCN(CC3)C4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=NN=C2SC(C)C(=O)N3CCN(CC3)C4=CC=CC=C4)C

InChI

InChI=1S/C23H27N5OS/c1-17-8-7-11-21(16-17)28-19(3)24-25-23(28)30-18(2)22(29)27-14-12-26(13-15-27)20-9-5-4-6-10-20/h4-11,16,18H,12-15H2,1-3H3