3,5-bis[(4-methylphenyl)methylsulfanyl]-1,2-thiazole-4-carbonitrile

Systemtic Name: 3,5-bis[(4-methylphenyl)methylsulfanyl]-1,2-thiazole-4-carbonitrile Openeye Name: 3,5-bis(p-tolylmethylsulfanyl)isothiazole-4-carbonitrile CAS Name: 3,5-bis[(4-methylphenyl)methylthio]-4-isothiazolecarbonitrile IUPAC Name: 3,5-bis[(4-methylphenyl)methylsulfanyl]-1,2-thiazole-4-carbonitrile Traditional Name: 3,5-bis[(4-methylbenzyl)thio]isothiazole-4-carbonitrile Formula: C20H18N2S3 MolecularWeight: 382.56532

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSC2=C(C(=NS2)SCC3=CC=C(C=C3)C)C#N

Isomeric SMILES

CC1=CC=C(C=C1)CSC2=C(C(=NS2)SCC3=CC=C(C=C3)C)C#N

InChI

InChI=1S/C20H18N2S3/c1-14-3-7-16(8-4-14)12-23-19-18(11-21)20(25-22-19)24-13-17-9-5-15(2)6-10-17/h3-10H,12-13H2,1-2H3