2-[3-(benzotriazol-1-ylmethyl)-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]-1-phenyl-ethanone

Systemtic Name: 2-[3-(benzotriazol-1-ylmethyl)-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]-1-phenyl-ethanone Openeye Name: 2-[3-(benzotriazol-1-ylmethyl)-4-phenyl-5-thioxo-1,2,4-triazol-1-yl]-1-phenyl-ethanone CAS Name: 2-[3-(1-benzotriazolylmethyl)-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]-1-phenylethanone IUPAC Name: 2-[3-(benzotriazol-1-ylmethyl)-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]-1-phenylethanone Traditional Name: 2-[3-(benzotriazol-1-ylmethyl)-4-phenyl-5-thioxo-1,2,4-triazol-1-yl]-1-phenyl-ethanone Formula: C23H18N6OS MolecularWeight: 426.49362

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)CN2C(=S)N(C(=N2)CN3C4=CC=CC=C4N=N3)C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)C(=O)CN2C(=S)N(C(=N2)CN3C4=CC=CC=C4N=N3)C5=CC=CC=C5

InChI

InChI=1S/C23H18N6OS/c30-21(17-9-3-1-4-10-17)15-28-23(31)29(18-11-5-2-6-12-18)22(25-28)16-27-20-14-8-7-13-19(20)24-26-27/h1-14H,15-16H2