2-azanyl-6-[1,3-benzothiazol-2-yl(cyano)methyl]-5-cyano-1,4-dihydropyridine-3-carbothioamide

Systemtic Name: 2-azanyl-6-[1,3-benzothiazol-2-yl(cyano)methyl]-5-cyano-1,4-dihydropyridine-3-carbothioamide Openeye Name: 2-amino-6-[1,3-benzothiazol-2-yl(cyano)methyl]-5-cyano-1,4-dihydropyridine-3-carbothioamide CAS Name: 2-amino-6-[1,3-benzothiazol-2-yl(cyano)methyl]-5-cyano-1,4-dihydropyridine-3-carbothioamide IUPAC Name: 2-amino-6-[1,3-benzothiazol-2-yl(cyano)methyl]-5-cyano-1,4-dihydropyridine-3-carbothioamide Traditional Name: 2-amino-6-[1,3-benzothiazol-2-yl(cyano)methyl]-5-cyano-1,4-dihydropyridine-3-carbothioamide Formula: C16H12N6S2 MolecularWeight: 352.43668

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12N6S2/c17-6-8-5-9(15(20)23)14(19)22-13(8)10(7-18)16-21-11-3-1-2-4-12(11)24-16/h1-4,10,22H,5,19H2,(H2,20,23)