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

Systemtic Name: (3S)-3-[[5-(4-methoxyphenyl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]azepan-2-one Openeye Name: (3S)-3-[[4-isopropyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]azepan-2-one CAS Name: (3S)-3-[[5-(4-methoxyphenyl)-4-propan-2-yl-1,2,4-triazol-3-yl]thio]-2-azepanone IUPAC Name: (3S)-3-[[5-(4-methoxyphenyl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]azepan-2-one Traditional Name: (3S)-3-[[4-isopropyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]azepan-2-one Formula: C18H24N4O2S MolecularWeight: 360.47376

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=NN=C1SC2CCCCNC2=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CC(C)N1C(=NN=C1S[C@H]2CCCCNC2=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C18H24N4O2S/c1-12(2)22-16(13-7-9-14(24-3)10-8-13)20-21-18(22)25-15-6-4-5-11-19-17(15)23/h7-10,12,15H,4-6,11H2,1-3H3,(H,19,23)/t15-/m0/s1