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

Systemtic Name: 2-[[5-(benzotriazol-1-ylmethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methoxyphenyl)ethanone Openeye Name: 2-[[4-allyl-5-(benzotriazol-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methoxyphenyl)ethanone CAS Name: 2-[[5-(1-benzotriazolylmethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-1-(4-methoxyphenyl)ethanone IUPAC Name: 2-[[5-(benzotriazol-1-ylmethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methoxyphenyl)ethanone Traditional Name: 2-[[4-allyl-5-(benzotriazol-1-ylmethyl)-1,2,4-triazol-3-yl]thio]-1-(4-methoxyphenyl)ethanone Formula: C21H20N6O2S MolecularWeight: 420.4875

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)CSC2=NN=C(N2CC=C)CN3C4=CC=CC=C4N=N3

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)CSC2=NN=C(N2CC=C)CN3C4=CC=CC=C4N=N3

InChI

InChI=1S/C21H20N6O2S/c1-3-12-26-20(13-27-18-7-5-4-6-17(18)22-25-27)23-24-21(26)30-14-19(28)15-8-10-16(29-2)11-9-15/h3-11H,1,12-14H2,2H3