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

Systemtic Name: 2-[[5-(benzotriazol-1-ylmethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-phenylphenyl)ethanone Openeye Name: 2-[[4-allyl-5-(benzotriazol-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-phenylphenyl)ethanone CAS Name: 2-[[5-(1-benzotriazolylmethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-1-(4-phenylphenyl)ethanone IUPAC Name: 2-[[5-(benzotriazol-1-ylmethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-phenylphenyl)ethanone Traditional Name: 2-[[4-allyl-5-(benzotriazol-1-ylmethyl)-1,2,4-triazol-3-yl]thio]-1-(4-phenylphenyl)ethanone Formula: C26H22N6OS MolecularWeight: 466.55748

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)C3=CC=CC=C3)CN4C5=CC=CC=C5N=N4

Isomeric SMILES

C=CCN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)C3=CC=CC=C3)CN4C5=CC=CC=C5N=N4

InChI

InChI=1S/C26H22N6OS/c1-2-16-31-25(17-32-23-11-7-6-10-22(23)27-30-32)28-29-26(31)34-18-24(33)21-14-12-20(13-15-21)19-8-4-3-5-9-19/h2-15H,1,16-18H2