3-[3-[[1-oxidanylidene-4-(phenylmethyl)phthalazin-2-yl]methyl]-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]propanenitrile

Systemtic Name: 3-[3-[[1-oxidanylidene-4-(phenylmethyl)phthalazin-2-yl]methyl]-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]propanenitrile Openeye Name: 3-[3-[(4-benzyl-1-oxo-phthalazin-2-yl)methyl]-4-phenyl-5-thioxo-1,2,4-triazol-1-yl]propanenitrile CAS Name: 3-[3-[[1-oxo-4-(phenylmethyl)-2-phthalazinyl]methyl]-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]propanenitrile IUPAC Name: 3-[3-[(4-benzyl-1-oxophthalazin-2-yl)methyl]-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]propanenitrile Traditional Name: 3-[3-[(4-benzyl-1-keto-phthalazin-2-yl)methyl]-4-phenyl-5-thioxo-1,2,4-triazol-1-yl]propionitrile Formula: C27H22N6OS MolecularWeight: 478.56818

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=NN(C(=O)C3=CC=CC=C32)CC4=NN(C(=S)N4C5=CC=CC=C5)CCC#N

Isomeric SMILES

C1=CC=C(C=C1)CC2=NN(C(=O)C3=CC=CC=C32)CC4=NN(C(=S)N4C5=CC=CC=C5)CCC#N

InChI

InChI=1S/C27H22N6OS/c28-16-9-17-31-27(35)33(21-12-5-2-6-13-21)25(30-31)19-32-26(34)23-15-8-7-14-22(23)24(29-32)18-20-10-3-1-4-11-20/h1-8,10-15H,9,17-19H2