N-[1-[2-(3,4-dimethoxyphenyl)ethyl]pyrazol-4-yl]-3-(2-phenylethenylsulfanyl)propanamide

Systemtic Name: N-[1-[2-(3,4-dimethoxyphenyl)ethyl]pyrazol-4-yl]-3-(2-phenylethenylsulfanyl)propanamide Openeye Name: N-[1-[2-(3,4-dimethoxyphenyl)ethyl]pyrazol-4-yl]-3-styrylsulfanyl-propanamide CAS Name: N-[1-[2-(3,4-dimethoxyphenyl)ethyl]-4-pyrazolyl]-3-(2-phenylethenylthio)propanamide IUPAC Name: N-[1-[2-(3,4-dimethoxyphenyl)ethyl]pyrazol-4-yl]-3-(2-phenylethenylsulfanyl)propanamide Traditional Name: N-(1-homoveratrylpyrazol-4-yl)-3-(styrylthio)propionamide Formula: C24H27N3O3S MolecularWeight: 437.55448

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCN2C=C(C=N2)NC(=O)CCSC=CC3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCN2C=C(C=N2)NC(=O)CCSC=CC3=CC=CC=C3)OC

InChI

InChI=1S/C24H27N3O3S/c1-29-22-9-8-20(16-23(22)30-2)10-13-27-18-21(17-25-27)26-24(28)12-15-31-14-11-19-6-4-3-5-7-19/h3-9,11,14,16-18H,10,12-13,15H2,1-2H3,(H,26,28)