N-butyl-2-chloranyl-N-[2-(3,5-dimethyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-3H-1,3,4-thiadiazol-5-yl]benzamide

Systemtic Name: N-butyl-2-chloranyl-N-[2-(3,5-dimethyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-3H-1,3,4-thiadiazol-5-yl]benzamide Openeye Name: N-butyl-2-chloro-N-[2-(3,5-dimethyl-4-oxo-cyclohexa-2,5-dien-1-ylidene)-3H-1,3,4-thiadiazol-5-yl]benzamide CAS Name: N-butyl-2-chloro-N-[2-(3,5-dimethyl-4-oxo-1-cyclohexa-2,5-dienylidene)-3H-1,3,4-thiadiazol-5-yl]benzamide IUPAC Name: N-butyl-2-chloro-N-[2-(3,5-dimethyl-4-oxocyclohexa-2,5-dien-1-ylidene)-3H-1,3,4-thiadiazol-5-yl]benzamide Traditional Name: N-butyl-2-chloro-N-[2-(4-keto-3,5-dimethyl-cyclohexa-2,5-dien-1-ylidene)-3H-1,3,4-thiadiazol-5-yl]benzamide Formula: C21H22ClN3O2S MolecularWeight: 415.93628

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C1=NNC(=C2C=C(C(=O)C(=C2)C)C)S1)C(=O)C3=CC=CC=C3Cl

Isomeric SMILES

CCCCN(C1=NNC(=C2C=C(C(=O)C(=C2)C)C)S1)C(=O)C3=CC=CC=C3Cl

InChI

InChI=1S/C21H22ClN3O2S/c1-4-5-10-25(20(27)16-8-6-7-9-17(16)22)21-24-23-19(28-21)15-11-13(2)18(26)14(3)12-15/h6-9,11-12,23H,4-5,10H2,1-3H3