2-[3-(5-phenacylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)propyl]benzo[de]isoquinoline-1,3-dione

Systemtic Name: 2-[3-(5-phenacylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)propyl]benzo[de]isoquinoline-1,3-dione Openeye Name: 2-[3-(5-phenacylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)propyl]benzo[de]isoquinoline-1,3-dione CAS Name: 2-[3-[5-(phenacylthio)-4-phenyl-1,2,4-triazol-3-yl]propyl]benzo[de]isoquinoline-1,3-dione IUPAC Name: 2-[3-(5-phenacylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)propyl]benzo[de]isoquinoline-1,3-dione Traditional Name: 2-[3-[5-(phenacylthio)-4-phenyl-1,2,4-triazol-3-yl]propyl]benzo[de]isoquinoline-1,3-quinone Formula: C31H24N4O3S MolecularWeight: 532.61226

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)CSC2=NN=C(N2C3=CC=CC=C3)CCCN4C(=O)C5=CC=CC6=C5C(=CC=C6)C4=O

Isomeric SMILES

C1=CC=C(C=C1)C(=O)CSC2=NN=C(N2C3=CC=CC=C3)CCCN4C(=O)C5=CC=CC6=C5C(=CC=C6)C4=O

InChI

InChI=1S/C31H24N4O3S/c36-26(21-10-3-1-4-11-21)20-39-31-33-32-27(35(31)23-14-5-2-6-15-23)18-9-19-34-29(37)24-16-7-12-22-13-8-17-25(28(22)24)30(34)38/h1-8,10-17H,9,18-20H2