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

Systemtic Name: 2-[(5-azanyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone Openeye Name: 2-[(5-amino-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone CAS Name: 2-[(5-amino-4-phenyl-1,2,4-triazol-3-yl)thio]-1-(4-phenyl-1-piperazinyl)ethanone IUPAC Name: 2-[(5-amino-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone Traditional Name: 2-[(5-amino-4-phenyl-1,2,4-triazol-3-yl)thio]-1-(4-phenylpiperazino)ethanone Formula: C20H22N6OS MolecularWeight: 394.49328

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=O)CSC3=NN=C(N3C4=CC=CC=C4)N

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=O)CSC3=NN=C(N3C4=CC=CC=C4)N

InChI

InChI=1S/C20H22N6OS/c21-19-22-23-20(26(19)17-9-5-2-6-10-17)28-15-18(27)25-13-11-24(12-14-25)16-7-3-1-4-8-16/h1-10H,11-15H2,(H2,21,22)