1-[4-(4-methylphenyl)-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-yl]ethanamine

Systemtic Name: 1-[4-(4-methylphenyl)-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-yl]ethanamine Openeye Name: 1-[5-benzylsulfanyl-4-(p-tolyl)-1,2,4-triazol-3-yl]ethanamine CAS Name: 1-[4-(4-methylphenyl)-5-(phenylmethylthio)-1,2,4-triazol-3-yl]ethanamine IUPAC Name: 1-[5-benzylsulfanyl-4-(4-methylphenyl)-1,2,4-triazol-3-yl]ethanamine Traditional Name: 1-[5-(benzylthio)-4-(p-tolyl)-1,2,4-triazol-3-yl]ethylamine Formula: C18H20N4S MolecularWeight: 324.4432

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=CC=C3)C(C)N

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=CC=C3)C(C)N

InChI

InChI=1S/C18H20N4S/c1-13-8-10-16(11-9-13)22-17(14(2)19)20-21-18(22)23-12-15-6-4-3-5-7-15/h3-11,14H,12,19H2,1-2H3