N-(6-chloranyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-1,4-dimethyl-pyrazole-3-carboxamide

Systemtic Name: N-(6-chloranyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-1,4-dimethyl-pyrazole-3-carboxamide Openeye Name: N-(6-chloro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-1,4-dimethyl-pyrazole-3-carboxamide CAS Name: N-(6-chloro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-1,4-dimethyl-3-pyrazolecarboxamide IUPAC Name: N-(6-chloro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-1,4-dimethylpyrazole-3-carboxamide Traditional Name: N-(6-chloro-3-propargyl-1,3-benzothiazol-2-ylidene)-1,4-dimethyl-pyrazole-3-carboxamide Formula: C16H13ClN4OS MolecularWeight: 344.81862

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(N=C1C(=O)N=C2N(C3=C(S2)C=C(C=C3)Cl)CC#C)C

Isomeric SMILES

CC1=CN(N=C1C(=O)N=C2N(C3=C(S2)C=C(C=C3)Cl)CC#C)C

InChI

InChI=1S/C16H13ClN4OS/c1-4-7-21-12-6-5-11(17)8-13(12)23-16(21)18-15(22)14-10(2)9-20(3)19-14/h1,5-6,8-9H,7H2,2-3H3