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

Systemtic Name: 2-[(5-azanyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(diphenylmethyl)piperazin-1-yl]ethanone Openeye Name: 2-[(5-amino-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-benzhydrylpiperazin-1-yl)ethanone CAS Name: 2-[(5-amino-4-phenyl-1,2,4-triazol-3-yl)thio]-1-[4-(diphenylmethyl)-1-piperazinyl]ethanone IUPAC Name: 2-[(5-amino-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-benzhydrylpiperazin-1-yl)ethanone Traditional Name: 2-[(5-amino-4-phenyl-1,2,4-triazol-3-yl)thio]-1-(4-benzhydrylpiperazino)ethanone Formula: C27H28N6OS MolecularWeight: 484.61582

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)CSC4=NN=C(N4C5=CC=CC=C5)N

Isomeric SMILES

C1CN(CCN1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)CSC4=NN=C(N4C5=CC=CC=C5)N

InChI

InChI=1S/C27H28N6OS/c28-26-29-30-27(33(26)23-14-8-3-9-15-23)35-20-24(34)31-16-18-32(19-17-31)25(21-10-4-1-5-11-21)22-12-6-2-7-13-22/h1-15,25H,16-20H2,(H2,28,29)