2-cyano-3-[1-(4-methoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]prop-2-enethioamide

Systemtic Name: 2-cyano-3-[1-(4-methoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]prop-2-enethioamide Openeye Name: 2-cyano-3-[1-(4-methoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]prop-2-enethioamide CAS Name: 2-cyano-3-[1-(4-methoxyphenyl)-2,5-dimethyl-3-pyrrolyl]-2-propenethioamide IUPAC Name: 2-cyano-3-[1-(4-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]prop-2-enethioamide Traditional Name: 2-cyano-3-[1-(4-methoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]thioacrylamide Formula: C17H17N3OS MolecularWeight: 311.40138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)OC)C)C=C(C#N)C(=S)N

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)OC)C)C=C(C#N)C(=S)N

InChI

InChI=1S/C17H17N3OS/c1-11-8-13(9-14(10-18)17(19)22)12(2)20(11)15-4-6-16(21-3)7-5-15/h4-9H,1-3H3,(H2,19,22)