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

Systemtic Name: 3-[3-[[1-oxidanylidene-4-(phenylmethyl)phthalazin-2-yl]methyl]-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]propanamide Openeye Name: 3-[3-[(4-benzyl-1-oxo-phthalazin-2-yl)methyl]-4-phenyl-5-thioxo-1,2,4-triazol-1-yl]propanamide CAS Name: 3-[3-[[1-oxo-4-(phenylmethyl)-2-phthalazinyl]methyl]-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]propanamide IUPAC Name: 3-[3-[(4-benzyl-1-oxophthalazin-2-yl)methyl]-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]propanamide Traditional Name: 3-[3-[(4-benzyl-1-keto-phthalazin-2-yl)methyl]-4-phenyl-5-thioxo-1,2,4-triazol-1-yl]propionamide Formula: C27H24N6O2S MolecularWeight: 496.58346

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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(=O)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(=O)N

InChI

InChI=1S/C27H24N6O2S/c28-24(34)15-16-31-27(36)33(20-11-5-2-6-12-20)25(30-31)18-32-26(35)22-14-8-7-13-21(22)23(29-32)17-19-9-3-1-4-10-19/h1-14H,15-18H2,(H2,28,34)