1-[[5-(benzotriazol-1-ylmethyl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propan-2-one

Systemtic Name: 1-[[5-(benzotriazol-1-ylmethyl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propan-2-one Openeye Name: 1-[[5-(benzotriazol-1-ylmethyl)-4-benzyl-1,2,4-triazol-3-yl]sulfanyl]propan-2-one CAS Name: 1-[[5-(1-benzotriazolylmethyl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]-2-propanone IUPAC Name: 1-[[5-(benzotriazol-1-ylmethyl)-4-benzyl-1,2,4-triazol-3-yl]sulfanyl]propan-2-one Traditional Name: 1-[[5-(benzotriazol-1-ylmethyl)-4-benzyl-1,2,4-triazol-3-yl]thio]acetone Formula: C19H18N6OS MolecularWeight: 378.45082

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CSC1=NN=C(N1CC2=CC=CC=C2)CN3C4=CC=CC=C4N=N3

Isomeric SMILES

CC(=O)CSC1=NN=C(N1CC2=CC=CC=C2)CN3C4=CC=CC=C4N=N3

InChI

InChI=1S/C19H18N6OS/c1-14(26)13-27-19-22-21-18(24(19)11-15-7-3-2-4-8-15)12-25-17-10-6-5-9-16(17)20-23-25/h2-10H,11-13H2,1H3