2-[[5-(benzotriazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-ethoxyphenyl)ethanone

Systemtic Name: 2-[[5-(benzotriazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-ethoxyphenyl)ethanone Openeye Name: 2-[[5-(benzotriazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-ethoxyphenyl)ethanone CAS Name: 2-[[5-(1-benzotriazolylmethyl)-4-methyl-1,2,4-triazol-3-yl]thio]-1-(4-ethoxyphenyl)ethanone IUPAC Name: 2-[[5-(benzotriazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-ethoxyphenyl)ethanone Traditional Name: 2-[[5-(benzotriazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]thio]-1-p-phenetyl-ethanone Formula: C20H20N6O2S MolecularWeight: 408.4768

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)CSC2=NN=C(N2C)CN3C4=CC=CC=C4N=N3

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)CSC2=NN=C(N2C)CN3C4=CC=CC=C4N=N3

InChI

InChI=1S/C20H20N6O2S/c1-3-28-15-10-8-14(9-11-15)18(27)13-29-20-23-22-19(25(20)2)12-26-17-7-5-4-6-16(17)21-24-26/h4-11H,3,12-13H2,1-2H3