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

Systemtic Name: 1,4-dimethyl-N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)pyrazole-3-carboxamide Openeye Name: 1,4-dimethyl-N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)pyrazole-3-carboxamide CAS Name: 1,4-dimethyl-N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-pyrazolecarboxamide IUPAC Name: 1,4-dimethyl-N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)pyrazole-3-carboxamide Traditional Name: 1,4-dimethyl-N-(6-nitro-3-propargyl-1,3-benzothiazol-2-ylidene)pyrazole-3-carboxamide Formula: C16H13N5O3S MolecularWeight: 355.37112

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(N=C1C(=O)N=C2N(C3=C(S2)C=C(C=C3)[N+](=O)[O-])CC#C)C

Isomeric SMILES

CC1=CN(N=C1C(=O)N=C2N(C3=C(S2)C=C(C=C3)[N+](=O)[O-])CC#C)C

InChI

InChI=1S/C16H13N5O3S/c1-4-7-20-12-6-5-11(21(23)24)8-13(12)25-16(20)17-15(22)14-10(2)9-19(3)18-14/h1,5-6,8-9H,7H2,2-3H3