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

Systemtic Name: (1S)-1-[4-(4-methylphenyl)-5-prop-2-enylsulfonyl-1,2,4-triazol-3-yl]-2-phenyl-ethanamine Openeye Name: (1S)-1-[5-allylsulfonyl-4-(p-tolyl)-1,2,4-triazol-3-yl]-2-phenyl-ethanamine CAS Name: (1S)-1-[4-(4-methylphenyl)-5-prop-2-enylsulfonyl-1,2,4-triazol-3-yl]-2-phenylethanamine IUPAC Name: (1S)-1-[4-(4-methylphenyl)-5-prop-2-enylsulfonyl-1,2,4-triazol-3-yl]-2-phenylethanamine Traditional Name: [(1S)-1-[5-allylsulfonyl-4-(p-tolyl)-1,2,4-triazol-3-yl]-2-phenyl-ethyl]amine Formula: C20H22N4O2S MolecularWeight: 382.47928

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=C2S(=O)(=O)CC=C)C(CC3=CC=CC=C3)N

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2S(=O)(=O)CC=C)[C@H](CC3=CC=CC=C3)N

InChI

InChI=1S/C20H22N4O2S/c1-3-13-27(25,26)20-23-22-19(18(21)14-16-7-5-4-6-8-16)24(20)17-11-9-15(2)10-12-17/h3-12,18H,1,13-14,21H2,2H3/t18-/m0/s1