2-[[5-[[(3-chlorophenyl)amino]methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-methoxyphenyl)ethanamide

Systemtic Name: 2-[[5-[[(3-chlorophenyl)amino]methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-methoxyphenyl)ethanamide Openeye Name: 2-[[4-allyl-5-[(3-chloroanilino)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(3-methoxyphenyl)acetamide CAS Name: 2-[[5-[(3-chloroanilino)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-N-(3-methoxyphenyl)acetamide IUPAC Name: 2-[[5-[(3-chloroanilino)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-methoxyphenyl)acetamide Traditional Name: 2-[[4-allyl-5-[(3-chloroanilino)methyl]-1,2,4-triazol-3-yl]thio]-N-(3-methoxyphenyl)acetamide Formula: C21H22ClN5O2S MolecularWeight: 443.94968

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=O)CSC2=NN=C(N2CC=C)CNC3=CC(=CC=C3)Cl

Isomeric SMILES

COC1=CC=CC(=C1)NC(=O)CSC2=NN=C(N2CC=C)CNC3=CC(=CC=C3)Cl

InChI

InChI=1S/C21H22ClN5O2S/c1-3-10-27-19(13-23-16-7-4-6-15(22)11-16)25-26-21(27)30-14-20(28)24-17-8-5-9-18(12-17)29-2/h3-9,11-12,23H,1,10,13-14H2,2H3,(H,24,28)