(1S)-1-[5-ethylsulfonyl-4-(4-phenylmethoxyphenyl)-1,2,4-triazol-3-yl]-3-methyl-butan-1-amine

Systemtic Name: (1S)-1-[5-ethylsulfonyl-4-(4-phenylmethoxyphenyl)-1,2,4-triazol-3-yl]-3-methyl-butan-1-amine Openeye Name: (1S)-1-[4-(4-benzyloxyphenyl)-5-ethylsulfonyl-1,2,4-triazol-3-yl]-3-methyl-butan-1-amine CAS Name: (1S)-1-[5-ethylsulfonyl-4-(4-phenylmethoxyphenyl)-1,2,4-triazol-3-yl]-3-methyl-1-butanamine IUPAC Name: (1S)-1-[5-ethylsulfonyl-4-(4-phenylmethoxyphenyl)-1,2,4-triazol-3-yl]-3-methylbutan-1-amine Traditional Name: [(1S)-1-[4-(4-benzoxyphenyl)-5-esyl-1,2,4-triazol-3-yl]-3-methyl-butyl]amine Formula: C22H28N4O3S MolecularWeight: 428.54772

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=NN=C(N1C2=CC=C(C=C2)OCC3=CC=CC=C3)C(CC(C)C)N

Isomeric SMILES

CCS(=O)(=O)C1=NN=C(N1C2=CC=C(C=C2)OCC3=CC=CC=C3)[C@H](CC(C)C)N

InChI

InChI=1S/C22H28N4O3S/c1-4-30(27,28)22-25-24-21(20(23)14-16(2)3)26(22)18-10-12-19(13-11-18)29-15-17-8-6-5-7-9-17/h5-13,16,20H,4,14-15,23H2,1-3H3/t20-/m0/s1