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

Systemtic Name: [4-[(4-methylphenyl)methyl]-5-prop-2-enylsulfanyl-1,2,4-triazol-3-yl]methanamine Openeye Name: [5-allylsulfanyl-4-(p-tolylmethyl)-1,2,4-triazol-3-yl]methanamine CAS Name: [4-[(4-methylphenyl)methyl]-5-(prop-2-enylthio)-1,2,4-triazol-3-yl]methanamine IUPAC Name: [4-[(4-methylphenyl)methyl]-5-prop-2-enylsulfanyl-1,2,4-triazol-3-yl]methanamine Traditional Name: [5-(allylthio)-4-(4-methylbenzyl)-1,2,4-triazol-3-yl]methylamine Formula: C14H18N4S MolecularWeight: 274.38452

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C(=NN=C2SCC=C)CN

Isomeric SMILES

CC1=CC=C(C=C1)CN2C(=NN=C2SCC=C)CN

InChI

InChI=1S/C14H18N4S/c1-3-8-19-14-17-16-13(9-15)18(14)10-12-6-4-11(2)5-7-12/h3-7H,1,8-10,15H2,2H3