(5E)-N-(3-chlorophenyl)-2-cyanoimino-5-(3-methyl-1,4-benzothiazin-2-ylidene)pyrimidine-4-carboxamide

Systemtic Name: (5E)-N-(3-chlorophenyl)-2-cyanoimino-5-(3-methyl-1,4-benzothiazin-2-ylidene)pyrimidine-4-carboxamide Openeye Name: (5E)-N-(3-chlorophenyl)-2-cyanoimino-5-(3-methyl-1,4-benzothiazin-2-ylidene)pyrimidine-4-carboxamide CAS Name: (5E)-N-(3-chlorophenyl)-2-cyanoimino-5-(3-methyl-1,4-benzothiazin-2-ylidene)-4-pyrimidinecarboxamide IUPAC Name: (5E)-N-(3-chlorophenyl)-2-cyanoimino-5-(3-methyl-1,4-benzothiazin-2-ylidene)pyrimidine-4-carboxamide Traditional Name: (5E)-N-(3-chlorophenyl)-2-cyanoimino-5-(3-methyl-1,4-benzothiazin-2-ylidene)pyrimidine-4-carboxamide Formula: C21H13ClN6OS MolecularWeight: 432.88552

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2SC1=C3C=NC(=NC#N)N=C3C(=O)NC4=CC(=CC=C4)Cl

Isomeric SMILES

CC\1=NC2=CC=CC=C2S/C1=C/3\C=NC(=NC#N)N=C3C(=O)NC4=CC(=CC=C4)Cl

InChI

InChI=1S/C21H13ClN6OS/c1-12-19(30-17-8-3-2-7-16(17)26-12)15-10-24-21(25-11-23)28-18(15)20(29)27-14-6-4-5-13(22)9-14/h2-10H,1H3,(H,27,29)/b19-15+,25-21?