5-[[4-(2,6-dimethylphenyl)sulfanylphenyl]amino]-3-oxidanylidene-1,2-thiazole-4-carbonitrile

Systemtic Name: 5-[[4-(2,6-dimethylphenyl)sulfanylphenyl]amino]-3-oxidanylidene-1,2-thiazole-4-carbonitrile Openeye Name: 5-[4-(2,6-dimethylphenyl)sulfanylanilino]-3-oxo-isothiazole-4-carbonitrile CAS Name: 5-[4-[(2,6-dimethylphenyl)thio]anilino]-3-oxo-4-isothiazolecarbonitrile IUPAC Name: 5-[4-(2,6-dimethylphenyl)sulfanylanilino]-3-oxo-1,2-thiazole-4-carbonitrile Traditional Name: 5-[4-[(2,6-dimethylphenyl)thio]anilino]-3-keto-4-isothiazoline-4-carbonitrile Formula: C18H15N3OS2 MolecularWeight: 353.4612

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)SC2=CC=C(C=C2)NC3=C(C(=O)NS3)C#N

Isomeric SMILES

CC1=C(C(=CC=C1)C)SC2=CC=C(C=C2)NC3=C(C(=O)NS3)C#N

InChI

InChI=1S/C18H15N3OS2/c1-11-4-3-5-12(2)16(11)23-14-8-6-13(7-9-14)20-18-15(10-19)17(22)21-24-18/h3-9,20H,1-2H3,(H,21,22)