3-[5-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]-N-phenyl-propanamide

Systemtic Name: 3-[5-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]-N-phenyl-propanamide Openeye Name: 3-[4-allyl-5-[2-(4-methylanilino)-2-oxo-ethyl]sulfanyl-1,2,4-triazol-3-yl]-N-phenyl-propanamide CAS Name: 3-[5-[[2-(4-methylanilino)-2-oxoethyl]thio]-4-prop-2-enyl-1,2,4-triazol-3-yl]-N-phenylpropanamide IUPAC Name: 3-[5-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]-N-phenylpropanamide Traditional Name: 3-[4-allyl-5-[[2-keto-2-(p-toluidino)ethyl]thio]-1,2,4-triazol-3-yl]-N-phenyl-propionamide Formula: C23H25N5O2S MolecularWeight: 435.5419

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2CC=C)CCC(=O)NC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2CC=C)CCC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C23H25N5O2S/c1-3-15-28-20(13-14-21(29)24-18-7-5-4-6-8-18)26-27-23(28)31-16-22(30)25-19-11-9-17(2)10-12-19/h3-12H,1,13-16H2,2H3,(H,24,29)(H,25,30)