5-[(E)-2-(dimethylamino)ethenyl]-3-[(4-methylphenyl)methylsulfanyl]-1,2-thiazole-4-carbonitrile

Systemtic Name: 5-[(E)-2-(dimethylamino)ethenyl]-3-[(4-methylphenyl)methylsulfanyl]-1,2-thiazole-4-carbonitrile Openeye Name: 5-[(E)-2-(dimethylamino)vinyl]-3-(p-tolylmethylsulfanyl)isothiazole-4-carbonitrile CAS Name: 5-[(E)-2-(dimethylamino)ethenyl]-3-[(4-methylphenyl)methylthio]-4-isothiazolecarbonitrile IUPAC Name: 5-[(E)-2-(dimethylamino)ethenyl]-3-[(4-methylphenyl)methylsulfanyl]-1,2-thiazole-4-carbonitrile Traditional Name: 5-[(E)-2-(dimethylamino)vinyl]-3-[(4-methylbenzyl)thio]isothiazole-4-carbonitrile Formula: C16H17N3S2 MolecularWeight: 315.45628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSC2=NSC(=C2C#N)C=CN(C)C

Isomeric SMILES

CC1=CC=C(C=C1)CSC2=NSC(=C2C#N)/C=C/N(C)C

InChI

InChI=1S/C16H17N3S2/c1-12-4-6-13(7-5-12)11-20-16-14(10-17)15(21-18-16)8-9-19(2)3/h4-9H,11H2,1-3H3/b9-8+