1-(4-chlorophenyl)carbonyl-3-[[(2Z)-2-pyrrol-2-ylidene-3H-1,3,4-oxadiazol-5-yl]sulfanyl]azepan-2-one

Systemtic Name: 1-(4-chlorophenyl)carbonyl-3-[[(2Z)-2-pyrrol-2-ylidene-3H-1,3,4-oxadiazol-5-yl]sulfanyl]azepan-2-one Openeye Name: 1-(4-chlorobenzoyl)-3-[[(2Z)-2-pyrrol-2-ylidene-3H-1,3,4-oxadiazol-5-yl]sulfanyl]azepan-2-one CAS Name: 1-[(4-chlorophenyl)-oxomethyl]-3-[[(2Z)-2-(2-pyrrolylidene)-3H-1,3,4-oxadiazol-5-yl]thio]-2-azepanone IUPAC Name: 1-(4-chlorobenzoyl)-3-[[(2Z)-2-pyrrol-2-ylidene-3H-1,3,4-oxadiazol-5-yl]sulfanyl]azepan-2-one Traditional Name: 1-(4-chlorobenzoyl)-3-[[(2Z)-2-pyrrol-2-ylidene-3H-1,3,4-oxadiazol-5-yl]thio]azepan-2-one Formula: C19H17ClN4O3S MolecularWeight: 416.88128

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(=O)C(C1)SC2=NNC(=C3C=CC=N3)O2)C(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1CCN(C(=O)C(C1)SC2=NN/C(=C/3\C=CC=N3)/O2)C(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C19H17ClN4O3S/c20-13-8-6-12(7-9-13)17(25)24-11-2-1-5-15(18(24)26)28-19-23-22-16(27-19)14-4-3-10-21-14/h3-4,6-10,15,22H,1-2,5,11H2/b16-14-