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

Systemtic Name: 2-methyl-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]-2-methyl-butan-1-amine CAS Name: 2-methyl-1-[4-[(4-methylphenyl)methyl]-5-(prop-2-enylthio)-1,2,4-triazol-3-yl]-1-butanamine IUPAC Name: 2-methyl-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]-2-methyl-butyl]amine Formula: C18H26N4S MolecularWeight: 330.49084

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26N4S/c1-5-11-23-18-21-20-17(16(19)14(4)6-2)22(18)12-15-9-7-13(3)8-10-15/h5,7-10,14,16H,1,6,11-12,19H2,2-4H3