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

Systemtic Name: (1S)-1-[4-[(4-methylphenyl)methyl]-5-prop-2-enylsulfanyl-1,2,4-triazol-3-yl]ethanamine Openeye Name: (1S)-1-[5-allylsulfanyl-4-(p-tolylmethyl)-1,2,4-triazol-3-yl]ethanamine CAS Name: (1S)-1-[4-[(4-methylphenyl)methyl]-5-(prop-2-enylthio)-1,2,4-triazol-3-yl]ethanamine IUPAC Name: (1S)-1-[4-[(4-methylphenyl)methyl]-5-prop-2-enylsulfanyl-1,2,4-triazol-3-yl]ethanamine Traditional Name: [(1S)-1-[5-(allylthio)-4-(4-methylbenzyl)-1,2,4-triazol-3-yl]ethyl]amine Formula: C15H20N4S MolecularWeight: 288.4111

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC=C(C=C1)CN2C(=NN=C2SCC=C)[C@H](C)N

InChI

InChI=1S/C15H20N4S/c1-4-9-20-15-18-17-14(12(3)16)19(15)10-13-7-5-11(2)6-8-13/h4-8,12H,1,9-10,16H2,2-3H3/t12-/m0/s1