N-[1-[[4-(phenylmethyl)-3-pyridin-3-yl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]piperidin-4-yl]benzamide

Systemtic Name: N-[1-[[4-(phenylmethyl)-3-pyridin-3-yl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]piperidin-4-yl]benzamide Openeye Name: N-[1-[[4-benzyl-3-(3-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]-4-piperidyl]benzamide CAS Name: N-[1-[[4-(phenylmethyl)-3-(3-pyridinyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-4-piperidinyl]benzamide IUPAC Name: N-[1-[(4-benzyl-3-pyridin-3-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperidin-4-yl]benzamide Traditional Name: N-[1-[[4-benzyl-3-(3-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]-4-piperidyl]benzamide Formula: C27H28N6OS MolecularWeight: 484.61582

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1NC(=O)C2=CC=CC=C2)CN3C(=S)N(C(=N3)C4=CN=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

C1CN(CCC1NC(=O)C2=CC=CC=C2)CN3C(=S)N(C(=N3)C4=CN=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C27H28N6OS/c34-26(22-10-5-2-6-11-22)29-24-13-16-31(17-14-24)20-33-27(35)32(19-21-8-3-1-4-9-21)25(30-33)23-12-7-15-28-18-23/h1-12,15,18,24H,13-14,16-17,19-20H2,(H,29,34)