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

Systemtic Name: (3S)-3-[[4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]azepan-2-one Openeye Name: (3S)-3-[[4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]azepan-2-one CAS Name: (3S)-3-[[4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-2-azepanone IUPAC Name: (3S)-3-[[4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]azepan-2-one Traditional Name: (3S)-3-[[4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]azepan-2-one Formula: C17H22N4O2S MolecularWeight: 346.44718

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SC2CCCCNC2=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CCN1C(=NN=C1S[C@H]2CCCCNC2=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C17H22N4O2S/c1-3-21-15(12-7-9-13(23-2)10-8-12)19-20-17(21)24-14-6-4-5-11-18-16(14)22/h7-10,14H,3-6,11H2,1-2H3,(H,18,22)/t14-/m0/s1