5-[[1,3-benzothiazol-2-yl(cyano)methyl]diazenyl]-3-methyl-1,2-thiazole-4-carbonitrile

Systemtic Name: 5-[[1,3-benzothiazol-2-yl(cyano)methyl]diazenyl]-3-methyl-1,2-thiazole-4-carbonitrile Openeye Name: 5-[1,3-benzothiazol-2-yl(cyano)methyl]azo-3-methyl-isothiazole-4-carbonitrile CAS Name: 5-[1,3-benzothiazol-2-yl(cyano)methyl]azo-3-methyl-4-isothiazolecarbonitrile IUPAC Name: 5-[[1,3-benzothiazol-2-yl(cyano)methyl]diazenyl]-3-methyl-1,2-thiazole-4-carbonitrile Traditional Name: 5-[1,3-benzothiazol-2-yl(cyano)methyl]azo-3-methyl-isothiazole-4-carbonitrile Formula: C14H8N6S2 MolecularWeight: 324.38352

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NSC(=C1C#N)N=NC(C#N)C2=NC3=CC=CC=C3S2

Isomeric SMILES

CC1=NSC(=C1C#N)N=NC(C#N)C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C14H8N6S2/c1-8-9(6-15)13(22-20-8)19-18-11(7-16)14-17-10-4-2-3-5-12(10)21-14/h2-5,11H,1H3