1-[2-cyano-2-(4-methylphenyl)sulfonyl-ethenyl]-3-(2,6-diethylphenyl)thiourea

Systemtic Name: 1-[2-cyano-2-(4-methylphenyl)sulfonyl-ethenyl]-3-(2,6-diethylphenyl)thiourea Openeye Name: 1-[2-cyano-2-(p-tolylsulfonyl)vinyl]-3-(2,6-diethylphenyl)thiourea CAS Name: 1-[2-cyano-2-(4-methylphenyl)sulfonylethenyl]-3-(2,6-diethylphenyl)thiourea IUPAC Name: 1-[2-cyano-2-(4-methylphenyl)sulfonylethenyl]-3-(2,6-diethylphenyl)thiourea Traditional Name: 1-(2-cyano-2-tosyl-vinyl)-3-(2,6-diethylphenyl)thiourea Formula: C21H23N3O2S2 MolecularWeight: 413.55622

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=S)NC=C(C#N)S(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=S)NC=C(C#N)S(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C21H23N3O2S2/c1-4-16-7-6-8-17(5-2)20(16)24-21(27)23-14-19(13-22)28(25,26)18-11-9-15(3)10-12-18/h6-12,14H,4-5H2,1-3H3,(H2,23,24,27)