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

Systemtic Name: 3-[[5-(benzotriazol-1-ylmethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methoxyphenyl)propanamide Openeye Name: 3-[[4-allyl-5-(benzotriazol-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methoxyphenyl)propanamide CAS Name: 3-[[5-(1-benzotriazolylmethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-N-(2-methoxyphenyl)propanamide IUPAC Name: 3-[[5-(benzotriazol-1-ylmethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methoxyphenyl)propanamide Traditional Name: 3-[[4-allyl-5-(benzotriazol-1-ylmethyl)-1,2,4-triazol-3-yl]thio]-N-(2-methoxyphenyl)propionamide Formula: C22H23N7O2S MolecularWeight: 449.52872

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC(=O)CCSC2=NN=C(N2CC=C)CN3C4=CC=CC=C4N=N3

Isomeric SMILES

COC1=CC=CC=C1NC(=O)CCSC2=NN=C(N2CC=C)CN3C4=CC=CC=C4N=N3

InChI

InChI=1S/C22H23N7O2S/c1-3-13-28-20(15-29-18-10-6-4-8-16(18)24-27-29)25-26-22(28)32-14-12-21(30)23-17-9-5-7-11-19(17)31-2/h3-11H,1,12-15H2,2H3,(H,23,30)