2-[[(4,6-dimethyl-1,3-benzothiazol-2-yl)amino]methylidene]propanedinitrile

Systemtic Name: 2-[[(4,6-dimethyl-1,3-benzothiazol-2-yl)amino]methylidene]propanedinitrile Openeye Name: 2-[[(4,6-dimethyl-1,3-benzothiazol-2-yl)amino]methylene]propanedinitrile CAS Name: 2-[[(4,6-dimethyl-1,3-benzothiazol-2-yl)amino]methylidene]propanedinitrile IUPAC Name: 2-[[(4,6-dimethyl-1,3-benzothiazol-2-yl)amino]methylidene]propanedinitrile Traditional Name: 2-[[(4,6-dimethyl-1,3-benzothiazol-2-yl)amino]methylene]malononitrile Formula: C13H10N4S MolecularWeight: 254.3103

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)SC(=N2)NC=C(C#N)C#N)C

Isomeric SMILES

CC1=CC(=C2C(=C1)SC(=N2)NC=C(C#N)C#N)C

InChI

InChI=1S/C13H10N4S/c1-8-3-9(2)12-11(4-8)18-13(17-12)16-7-10(5-14)6-15/h3-4,7H,1-2H3,(H,16,17)