3-butoxy-N-(6-chloranyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide

Systemtic Name: 3-butoxy-N-(6-chloranyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide Openeye Name: 3-butoxy-N-(6-chloro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide CAS Name: 3-butoxy-N-(6-chloro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide IUPAC Name: 3-butoxy-N-(6-chloro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide Traditional Name: 3-butoxy-N-(6-chloro-3-propargyl-1,3-benzothiazol-2-ylidene)benzamide Formula: C21H19ClN2O2S MolecularWeight: 398.90576

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)C(=O)N=C2N(C3=C(S2)C=C(C=C3)Cl)CC#C

Isomeric SMILES

CCCCOC1=CC=CC(=C1)C(=O)N=C2N(C3=C(S2)C=C(C=C3)Cl)CC#C

InChI

InChI=1S/C21H19ClN2O2S/c1-3-5-12-26-17-8-6-7-15(13-17)20(25)23-21-24(11-4-2)18-10-9-16(22)14-19(18)27-21/h2,6-10,13-14H,3,5,11-12H2,1H3