4-[5-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-3H-1,3,4-oxadiazol-2-ylidene]cyclohexa-2,5-dien-1-one

Systemtic Name: 4-[5-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-3H-1,3,4-oxadiazol-2-ylidene]cyclohexa-2,5-dien-1-one Openeye Name: 4-[5-[2-(azepan-1-yl)-2-oxo-ethyl]sulfanyl-3H-1,3,4-oxadiazol-2-ylidene]cyclohexa-2,5-dien-1-one CAS Name: 4-[5-[[2-(1-azepanyl)-2-oxoethyl]thio]-3H-1,3,4-oxadiazol-2-ylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 4-[5-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-3H-1,3,4-oxadiazol-2-ylidene]cyclohexa-2,5-dien-1-one Traditional Name: 4-[5-[[2-(azepan-1-yl)-2-keto-ethyl]thio]-3H-1,3,4-oxadiazol-2-ylidene]cyclohexa-2,5-dien-1-one Formula: C16H19N3O3S MolecularWeight: 333.40536

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CSC2=NNC(=C3C=CC(=O)C=C3)O2

Isomeric SMILES

C1CCCN(CC1)C(=O)CSC2=NNC(=C3C=CC(=O)C=C3)O2

InChI

InChI=1S/C16H19N3O3S/c20-13-7-5-12(6-8-13)15-17-18-16(22-15)23-11-14(21)19-9-3-1-2-4-10-19/h5-8,17H,1-4,9-11H2