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

Systemtic Name: 3-[[4-methyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]propan-1-amine Openeye Name: 3-[[4-methyl-5-(m-tolyl)-1,2,4-triazol-3-yl]sulfanyl]propan-1-amine CAS Name: 3-[[4-methyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]thio]-1-propanamine IUPAC Name: 3-[[4-methyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]propan-1-amine Traditional Name: 3-[[4-methyl-5-(m-tolyl)-1,2,4-triazol-3-yl]thio]propylamine Formula: C13H18N4S MolecularWeight: 262.37382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NN=C(N2C)SCCCN

Isomeric SMILES

CC1=CC=CC(=C1)C2=NN=C(N2C)SCCCN

InChI

InChI=1S/C13H18N4S/c1-10-5-3-6-11(9-10)12-15-16-13(17(12)2)18-8-4-7-14/h3,5-6,9H,4,7-8,14H2,1-2H3