2-[[4-azanyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone

Systemtic Name: 2-[[4-azanyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone Openeye Name: 2-[[4-amino-5-(o-tolyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone CAS Name: 2-[[4-amino-5-(2-methylphenyl)-1,2,4-triazol-3-yl]thio]-1-(4-phenyl-1-piperazinyl)ethanone IUPAC Name: 2-[[4-amino-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone Traditional Name: 2-[[4-amino-5-(o-tolyl)-1,2,4-triazol-3-yl]thio]-1-(4-phenylpiperazino)ethanone Formula: C21H24N6OS MolecularWeight: 408.51986

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NN=C(N2N)SCC(=O)N3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC=C1C2=NN=C(N2N)SCC(=O)N3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C21H24N6OS/c1-16-7-5-6-10-18(16)20-23-24-21(27(20)22)29-15-19(28)26-13-11-25(12-14-26)17-8-3-2-4-9-17/h2-10H,11-15,22H2,1H3