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

Systemtic Name: 3-[[(4-methylphenyl)amino]methyl]-5-prop-2-enylsulfanyl-1,2,4-triazol-4-amine Openeye Name: 3-allylsulfanyl-5-[(4-methylanilino)methyl]-1,2,4-triazol-4-amine CAS Name: 3-[(4-methylanilino)methyl]-5-(prop-2-enylthio)-1,2,4-triazol-4-amine IUPAC Name: 3-[(4-methylanilino)methyl]-5-prop-2-enylsulfanyl-1,2,4-triazol-4-amine Traditional Name: [5-(allylthio)-4-amino-1,2,4-triazol-3-yl]methyl-(p-tolyl)amine Formula: C13H17N5S MolecularWeight: 275.37258

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NCC2=NN=C(N2N)SCC=C

Isomeric SMILES

CC1=CC=C(C=C1)NCC2=NN=C(N2N)SCC=C

InChI

InChI=1S/C13H17N5S/c1-3-8-19-13-17-16-12(18(13)14)9-15-11-6-4-10(2)5-7-11/h3-7,15H,1,8-9,14H2,2H3