N-(4-acetamidophenyl)-2-[[5-(3-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]propanamide

Systemtic Name: N-(4-acetamidophenyl)-2-[[5-(3-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]propanamide Openeye Name: N-(4-acetamidophenyl)-2-[[4-allyl-5-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: N-(4-acetamidophenyl)-2-[[5-(3-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: N-(4-acetamidophenyl)-2-[[5-(3-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]propanamide Traditional Name: N-(4-acetamidophenyl)-2-[[4-allyl-5-(3-methoxyphenyl)-1,2,4-triazol-3-yl]thio]propionamide Formula: C23H25N5O3S MolecularWeight: 451.5413

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)NC(=O)C)SC2=NN=C(N2CC=C)C3=CC(=CC=C3)OC

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)NC(=O)C)SC2=NN=C(N2CC=C)C3=CC(=CC=C3)OC

InChI

InChI=1S/C23H25N5O3S/c1-5-13-28-21(17-7-6-8-20(14-17)31-4)26-27-23(28)32-15(2)22(30)25-19-11-9-18(10-12-19)24-16(3)29/h5-12,14-15H,1,13H2,2-4H3,(H,24,29)(H,25,30)