1-[3-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]propyl]-4-(phenylmethyl)piperidine

Systemtic Name: 1-[3-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]propyl]-4-(phenylmethyl)piperidine Openeye Name: 4-benzyl-1-[3-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]propyl]piperidine CAS Name: 1-[3-[(5-methyl-1H-1,2,4-triazol-3-yl)thio]propyl]-4-(phenylmethyl)piperidine IUPAC Name: 4-benzyl-1-[3-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]propyl]piperidine Traditional Name: 4-benzyl-1-[3-[(5-methyl-1H-1,2,4-triazol-3-yl)thio]propyl]piperidine Formula: C18H26N4S MolecularWeight: 330.49084

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NN1)SCCCN2CCC(CC2)CC3=CC=CC=C3

Isomeric SMILES

CC1=NC(=NN1)SCCCN2CCC(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C18H26N4S/c1-15-19-18(21-20-15)23-13-5-10-22-11-8-17(9-12-22)14-16-6-3-2-4-7-16/h2-4,6-7,17H,5,8-14H2,1H3,(H,19,20,21)