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

Systemtic Name: N-[1-[[4-(phenylmethyl)-3-pyridin-3-yl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]piperidin-4-yl]cyclopropanecarboxamide Openeye Name: N-[1-[[4-benzyl-3-(3-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]-4-piperidyl]cyclopropanecarboxamide CAS Name: N-[1-[[4-(phenylmethyl)-3-(3-pyridinyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-4-piperidinyl]cyclopropanecarboxamide IUPAC Name: N-[1-[(4-benzyl-3-pyridin-3-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperidin-4-yl]cyclopropanecarboxamide Traditional Name: N-[1-[[4-benzyl-3-(3-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]-4-piperidyl]cyclopropanecarboxamide Formula: C24H28N6OS MolecularWeight: 448.58372

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(=O)NC2CCN(CC2)CN3C(=S)N(C(=N3)C4=CN=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

C1CC1C(=O)NC2CCN(CC2)CN3C(=S)N(C(=N3)C4=CN=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C24H28N6OS/c31-23(19-8-9-19)26-21-10-13-28(14-11-21)17-30-24(32)29(16-18-5-2-1-3-6-18)22(27-30)20-7-4-12-25-15-20/h1-7,12,15,19,21H,8-11,13-14,16-17H2,(H,26,31)