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

Systemtic Name: 2-[(4-azanyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(phenylmethyl)piperidin-1-yl]ethanone Openeye Name: 2-[(4-amino-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-benzyl-1-piperidyl)ethanone CAS Name: 2-[(4-amino-5-phenyl-1,2,4-triazol-3-yl)thio]-1-[4-(phenylmethyl)-1-piperidinyl]ethanone IUPAC Name: 2-[(4-amino-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-benzylpiperidin-1-yl)ethanone Traditional Name: 2-[(4-amino-5-phenyl-1,2,4-triazol-3-yl)thio]-1-(4-benzylpiperidino)ethanone Formula: C22H25N5OS MolecularWeight: 407.5318

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C(=O)CSC3=NN=C(N3N)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C(=O)CSC3=NN=C(N3N)C4=CC=CC=C4

InChI

InChI=1S/C22H25N5OS/c23-27-21(19-9-5-2-6-10-19)24-25-22(27)29-16-20(28)26-13-11-18(12-14-26)15-17-7-3-1-4-8-17/h1-10,18H,11-16,23H2