3-[[(5E)-5-indol-3-ylidene-4-phenyl-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,3-benzotriazin-4-one

Systemtic Name: 3-[[(5E)-5-indol-3-ylidene-4-phenyl-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,3-benzotriazin-4-one Openeye Name: 3-[[(5E)-5-indol-3-ylidene-4-phenyl-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,3-benzotriazin-4-one CAS Name: 3-[[[(5E)-5-(3-indolylidene)-4-phenyl-1H-1,2,4-triazol-3-yl]thio]methyl]-1,2,3-benzotriazin-4-one IUPAC Name: 3-[[(5E)-5-indol-3-ylidene-4-phenyl-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,3-benzotriazin-4-one Traditional Name: 3-[[[(5E)-5-indol-3-ylidene-4-phenyl-1H-1,2,4-triazol-3-yl]thio]methyl]-1,2,3-benzotriazin-4-one Formula: C24H17N7OS MolecularWeight: 451.50308

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=C3C=NC4=CC=CC=C43)NN=C2SCN5C(=O)C6=CC=CC=C6N=N5

Isomeric SMILES

C1=CC=C(C=C1)N2/C(=C/3\C=NC4=CC=CC=C43)/NN=C2SCN5C(=O)C6=CC=CC=C6N=N5

InChI

InChI=1S/C24H17N7OS/c32-23-18-11-5-7-13-21(18)26-29-30(23)15-33-24-28-27-22(31(24)16-8-2-1-3-9-16)19-14-25-20-12-6-4-10-17(19)20/h1-14,27H,15H2/b22-19+