(3S)-3-[[5-(4-methoxyphenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]azepan-2-one

Systemtic Name: (3S)-3-[[5-(4-methoxyphenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]azepan-2-one Openeye Name: (3S)-3-[[5-(4-methoxyphenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]azepan-2-one CAS Name: (3S)-3-[[5-(4-methoxyphenyl)-4-phenethyl-1,2,4-triazol-3-yl]thio]-2-azepanone IUPAC Name: (3S)-3-[[5-(4-methoxyphenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]azepan-2-one Traditional Name: (3S)-3-[[5-(4-methoxyphenyl)-4-phenethyl-1,2,4-triazol-3-yl]thio]azepan-2-one Formula: C23H26N4O2S MolecularWeight: 422.54314

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN=C(N2CCC3=CC=CC=C3)SC4CCCCNC4=O

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN=C(N2CCC3=CC=CC=C3)S[C@H]4CCCCNC4=O

InChI

InChI=1S/C23H26N4O2S/c1-29-19-12-10-18(11-13-19)21-25-26-23(30-20-9-5-6-15-24-22(20)28)27(21)16-14-17-7-3-2-4-8-17/h2-4,7-8,10-13,20H,5-6,9,14-16H2,1H3,(H,24,28)/t20-/m0/s1