S-methyl (Z)-2-cyano-3-[(3,4-dichlorophenyl)methylamino]but-2-enethioate

Systemtic Name: S-methyl (Z)-2-cyano-3-[(3,4-dichlorophenyl)methylamino]but-2-enethioate Openeye Name: S-methyl (Z)-2-cyano-3-[(3,4-dichlorophenyl)methylamino]but-2-enethioate CAS Name: (Z)-2-cyano-3-[(3,4-dichlorophenyl)methylamino]-2-butenethioic acid S-methyl ester IUPAC Name: S-methyl (Z)-2-cyano-3-[(3,4-dichlorophenyl)methylamino]but-2-enethioate Traditional Name: (Z)-2-cyano-3-[(3,4-dichlorobenzyl)amino]but-2-enethioic acid S-methyl ester Formula: C13H12Cl2N2OS MolecularWeight: 315.21818

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C#N)C(=O)SC)NCC1=CC(=C(C=C1)Cl)Cl

Isomeric SMILES

C/C(=C(\C#N)/C(=O)SC)/NCC1=CC(=C(C=C1)Cl)Cl

InChI

InChI=1S/C13H12Cl2N2OS/c1-8(10(6-16)13(18)19-2)17-7-9-3-4-11(14)12(15)5-9/h3-5,17H,7H2,1-2H3/b10-8-