1-[4-[(4-methylphenyl)methyl]-5-prop-2-enylsulfanyl-1,2,4-triazol-3-yl]butan-1-amine

Systemtic Name: 1-[4-[(4-methylphenyl)methyl]-5-prop-2-enylsulfanyl-1,2,4-triazol-3-yl]butan-1-amine Openeye Name: 1-[5-allylsulfanyl-4-(p-tolylmethyl)-1,2,4-triazol-3-yl]butan-1-amine CAS Name: 1-[4-[(4-methylphenyl)methyl]-5-(prop-2-enylthio)-1,2,4-triazol-3-yl]-1-butanamine IUPAC Name: 1-[4-[(4-methylphenyl)methyl]-5-prop-2-enylsulfanyl-1,2,4-triazol-3-yl]butan-1-amine Traditional Name: 1-[5-(allylthio)-4-(4-methylbenzyl)-1,2,4-triazol-3-yl]butylamine Formula: C17H24N4S MolecularWeight: 316.46426

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=NN=C(N1CC2=CC=C(C=C2)C)SCC=C)N

Isomeric SMILES

CCCC(C1=NN=C(N1CC2=CC=C(C=C2)C)SCC=C)N

InChI

InChI=1S/C17H24N4S/c1-4-6-15(18)16-19-20-17(22-11-5-2)21(16)12-14-9-7-13(3)8-10-14/h5,7-10,15H,2,4,6,11-12,18H2,1,3H3