3-[5-[1-(4-chlorophenyl)carbonyl-2-oxidanylidene-azepan-3-yl]sulfanyl-4-cyclopropyl-1,2,4-triazol-3-yl]propanamide

Systemtic Name: 3-[5-[1-(4-chlorophenyl)carbonyl-2-oxidanylidene-azepan-3-yl]sulfanyl-4-cyclopropyl-1,2,4-triazol-3-yl]propanamide Openeye Name: 3-[5-[1-(4-chlorobenzoyl)-2-oxo-azepan-3-yl]sulfanyl-4-cyclopropyl-1,2,4-triazol-3-yl]propanamide CAS Name: 3-[5-[[1-[(4-chlorophenyl)-oxomethyl]-2-oxo-3-azepanyl]thio]-4-cyclopropyl-1,2,4-triazol-3-yl]propanamide IUPAC Name: 3-[5-[1-(4-chlorobenzoyl)-2-oxoazepan-3-yl]sulfanyl-4-cyclopropyl-1,2,4-triazol-3-yl]propanamide Traditional Name: 3-[5-[[1-(4-chlorobenzoyl)-2-keto-azepan-3-yl]thio]-4-cyclopropyl-1,2,4-triazol-3-yl]propionamide Formula: C21H24ClN5O3S MolecularWeight: 461.96496

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(=O)C(C1)SC2=NN=C(N2C3CC3)CCC(=O)N)C(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1CCN(C(=O)C(C1)SC2=NN=C(N2C3CC3)CCC(=O)N)C(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H24ClN5O3S/c22-14-6-4-13(5-7-14)19(29)26-12-2-1-3-16(20(26)30)31-21-25-24-18(11-10-17(23)28)27(21)15-8-9-15/h4-7,15-16H,1-3,8-12H2,(H2,23,28)