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

Systemtic Name: (3S)-3-[[4-butyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]azepan-2-one Openeye Name: (3S)-3-[[4-butyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]azepan-2-one CAS Name: (3S)-3-[[4-butyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-2-azepanone IUPAC Name: (3S)-3-[[4-butyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]azepan-2-one Traditional Name: (3S)-3-[[4-butyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]azepan-2-one Formula: C19H26N4O2S MolecularWeight: 374.50034

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NN=C1SC2CCCCNC2=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CCCCN1C(=NN=C1S[C@H]2CCCCNC2=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C19H26N4O2S/c1-3-4-13-23-17(14-8-10-15(25-2)11-9-14)21-22-19(23)26-16-7-5-6-12-20-18(16)24/h8-11,16H,3-7,12-13H2,1-2H3,(H,20,24)/t16-/m0/s1