4-[[4-(3-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-piperidin-1-ylethyl)butanamide

Systemtic Name: 4-[[4-(3-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-piperidin-1-ylethyl)butanamide Openeye Name: 4-[[4-(m-tolyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[2-(1-piperidyl)ethyl]butanamide CAS Name: 4-[[4-(3-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]-N-[2-(1-piperidinyl)ethyl]butanamide IUPAC Name: 4-[[4-(3-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-piperidin-1-ylethyl)butanamide Traditional Name: 4-[[4-(m-tolyl)-5-phenyl-1,2,4-triazol-3-yl]thio]-N-(2-piperidinoethyl)butyramide Formula: C26H33N5OS MolecularWeight: 463.63812

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=NN=C2SCCCC(=O)NCCN3CCCCC3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=NN=C2SCCCC(=O)NCCN3CCCCC3)C4=CC=CC=C4

InChI

InChI=1S/C26H33N5OS/c1-21-10-8-13-23(20-21)31-25(22-11-4-2-5-12-22)28-29-26(31)33-19-9-14-24(32)27-15-18-30-16-6-3-7-17-30/h2,4-5,8,10-13,20H,3,6-7,9,14-19H2,1H3,(H,27,32)