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

Systemtic Name: (1S)-2-phenyl-1-[4-(phenylmethyl)-5-prop-2-enylsulfonyl-1,2,4-triazol-3-yl]ethanamine Openeye Name: (1S)-1-(5-allylsulfonyl-4-benzyl-1,2,4-triazol-3-yl)-2-phenyl-ethanamine CAS Name: (1S)-2-phenyl-1-[4-(phenylmethyl)-5-prop-2-enylsulfonyl-1,2,4-triazol-3-yl]ethanamine IUPAC Name: (1S)-1-(4-benzyl-5-prop-2-enylsulfonyl-1,2,4-triazol-3-yl)-2-phenylethanamine Traditional Name: [(1S)-1-(5-allylsulfonyl-4-benzyl-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:

C=CCS(=O)(=O)C1=NN=C(N1CC2=CC=CC=C2)C(CC3=CC=CC=C3)N

Isomeric SMILES

C=CCS(=O)(=O)C1=NN=C(N1CC2=CC=CC=C2)[C@H](CC3=CC=CC=C3)N

InChI

InChI=1S/C20H22N4O2S/c1-2-13-27(25,26)20-23-22-19(18(21)14-16-9-5-3-6-10-16)24(20)15-17-11-7-4-8-12-17/h2-12,18H,1,13-15,21H2/t18-/m0/s1