(E)-3-(dimethylamino)-2-[3-(4-methyl-2-sulfanyl-phenoxy)phenyl]carbonyl-prop-2-enenitrile

Systemtic Name: (E)-3-(dimethylamino)-2-[3-(4-methyl-2-sulfanyl-phenoxy)phenyl]carbonyl-prop-2-enenitrile Openeye Name: (E)-3-(dimethylamino)-2-[3-(4-methyl-2-sulfanyl-phenoxy)benzoyl]prop-2-enenitrile CAS Name: (E)-3-(dimethylamino)-2-[[3-(2-mercapto-4-methylphenoxy)phenyl]-oxomethyl]-2-propenenitrile IUPAC Name: (E)-3-(dimethylamino)-2-[3-(4-methyl-2-sulfanylphenoxy)benzoyl]prop-2-enenitrile Traditional Name: (E)-3-(dimethylamino)-2-[3-(2-mercapto-4-methyl-phenoxy)benzoyl]acrylonitrile Formula: C19H18N2O2S MolecularWeight: 338.42342

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC2=CC=CC(=C2)C(=O)C(=CN(C)C)C#N)S

Isomeric SMILES

CC1=CC(=C(C=C1)OC2=CC=CC(=C2)C(=O)/C(=C/N(C)C)/C#N)S

InChI

InChI=1S/C19H18N2O2S/c1-13-7-8-17(18(24)9-13)23-16-6-4-5-14(10-16)19(22)15(11-20)12-21(2)3/h4-10,12,24H,1-3H3/b15-12+