N-(7-chloranyl-4-methoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-nitro-benzamide

Systemtic Name: N-(7-chloranyl-4-methoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-nitro-benzamide Openeye Name: N-(7-chloro-4-methoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-nitro-benzamide CAS Name: N-(7-chloro-4-methoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-nitrobenzamide IUPAC Name: N-(7-chloro-4-methoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-nitrobenzamide Traditional Name: N-(7-chloro-4-methoxy-3-propargyl-1,3-benzothiazol-2-ylidene)-3-nitro-benzamide Formula: C18H12ClN3O4S MolecularWeight: 401.82358

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=C(C=C1)Cl)SC(=NC(=O)C3=CC(=CC=C3)[N+](=O)[O-])N2CC#C

Isomeric SMILES

COC1=C2C(=C(C=C1)Cl)SC(=NC(=O)C3=CC(=CC=C3)[N+](=O)[O-])N2CC#C

InChI

InChI=1S/C18H12ClN3O4S/c1-3-9-21-15-14(26-2)8-7-13(19)16(15)27-18(21)20-17(23)11-5-4-6-12(10-11)22(24)25/h1,4-8,10H,9H2,2H3