3-[[4-(3-methylphenyl)-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propan-1-amine

Systemtic Name: 3-[[4-(3-methylphenyl)-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propan-1-amine Openeye Name: 3-[[5-benzyl-4-(m-tolyl)-1,2,4-triazol-3-yl]sulfanyl]propan-1-amine CAS Name: 3-[[4-(3-methylphenyl)-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]-1-propanamine IUPAC Name: 3-[[5-benzyl-4-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]propan-1-amine Traditional Name: 3-[[5-benzyl-4-(m-tolyl)-1,2,4-triazol-3-yl]thio]propylamine Formula: C19H22N4S MolecularWeight: 338.46978

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=NN=C2SCCCN)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=NN=C2SCCCN)CC3=CC=CC=C3

InChI

InChI=1S/C19H22N4S/c1-15-7-5-10-17(13-15)23-18(14-16-8-3-2-4-9-16)21-22-19(23)24-12-6-11-20/h2-5,7-10,13H,6,11-12,14,20H2,1H3