3,5-bis[[2-(4-methylphenyl)-2-oxidanylidene-ethyl]sulfanyl]-1,2-thiazole-4-carbonitrile

Systemtic Name: 3,5-bis[[2-(4-methylphenyl)-2-oxidanylidene-ethyl]sulfanyl]-1,2-thiazole-4-carbonitrile Openeye Name: 3,5-bis[[2-oxo-2-(p-tolyl)ethyl]sulfanyl]isothiazole-4-carbonitrile CAS Name: 3,5-bis[[2-(4-methylphenyl)-2-oxoethyl]thio]-4-isothiazolecarbonitrile IUPAC Name: 3,5-bis[[2-(4-methylphenyl)-2-oxoethyl]sulfanyl]-1,2-thiazole-4-carbonitrile Traditional Name: 3,5-bis[[2-keto-2-(p-tolyl)ethyl]thio]isothiazole-4-carbonitrile Formula: C22H18N2O2S3 MolecularWeight: 438.58552

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H18N2O2S3/c1-14-3-7-16(8-4-14)19(25)12-27-21-18(11-23)22(29-24-21)28-13-20(26)17-9-5-15(2)6-10-17/h3-10H,12-13H2,1-2H3