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

Systemtic Name: 3-[[5-(2-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-propanamide Openeye Name: 3-[[4-allyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-propanamide CAS Name: 3-[[5-(2-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-N-phenylpropanamide IUPAC Name: 3-[[5-(2-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylpropanamide Traditional Name: 3-[[4-allyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-N-phenyl-propionamide Formula: C21H22N4O2S MolecularWeight: 394.48998

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=NN=C(N2CC=C)SCCC(=O)NC3=CC=CC=C3

Isomeric SMILES

COC1=CC=CC=C1C2=NN=C(N2CC=C)SCCC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C21H22N4O2S/c1-3-14-25-20(17-11-7-8-12-18(17)27-2)23-24-21(25)28-15-13-19(26)22-16-9-5-4-6-10-16/h3-12H,1,13-15H2,2H3,(H,22,26)