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

Systemtic Name: 1,4-dimethyl-N-(6-methylsulfonyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)pyrazole-3-carboxamide Openeye Name: N-(3-allyl-6-methylsulfonyl-1,3-benzothiazol-2-ylidene)-1,4-dimethyl-pyrazole-3-carboxamide CAS Name: 1,4-dimethyl-N-(6-methylsulfonyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-3-pyrazolecarboxamide IUPAC Name: 1,4-dimethyl-N-(6-methylsulfonyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)pyrazole-3-carboxamide Traditional Name: N-(3-allyl-6-mesyl-1,3-benzothiazol-2-ylidene)-1,4-dimethyl-pyrazole-3-carboxamide Formula: C17H18N4O3S2 MolecularWeight: 390.47982

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N4O3S2/c1-5-8-21-13-7-6-12(26(4,23)24)9-14(13)25-17(21)18-16(22)15-11(2)10-20(3)19-15/h5-7,9-10H,1,8H2,2-4H3