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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=O)CCSC2=NN=C(N2CC=C)CN3C4=CC=CC=C4N=N3

Isomeric SMILES

COC1=CC=CC(=C1)NC(=O)CCSC2=NN=C(N2CC=C)CN3C4=CC=CC=C4N=N3

InChI

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