3-[[5-phenyl-4-(phenylcarbonyl)-3-sulfanylidene-2H-1,2,4-triazin-1-yl]carbonyl]chromen-2-one

Systemtic Name: 3-[[5-phenyl-4-(phenylcarbonyl)-3-sulfanylidene-2H-1,2,4-triazin-1-yl]carbonyl]chromen-2-one Openeye Name: 3-(4-benzoyl-5-phenyl-3-thioxo-2H-1,2,4-triazine-1-carbonyl)chromen-2-one CAS Name: 3-[(4-benzoyl-5-phenyl-3-sulfanylidene-2H-1,2,4-triazin-1-yl)-oxomethyl]-1-benzopyran-2-one IUPAC Name: 3-(4-benzoyl-5-phenyl-3-sulfanylidene-2H-1,2,4-triazine-1-carbonyl)chromen-2-one Traditional Name: 3-(4-benzoyl-5-phenyl-3-thioxo-2H-1,2,4-triazine-1-carbonyl)coumarin Formula: C26H17N3O4S MolecularWeight: 467.49588

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CN(NC(=S)N2C(=O)C3=CC=CC=C3)C(=O)C4=CC5=CC=CC=C5OC4=O

Isomeric SMILES

C1=CC=C(C=C1)C2=CN(NC(=S)N2C(=O)C3=CC=CC=C3)C(=O)C4=CC5=CC=CC=C5OC4=O

InChI

InChI=1S/C26H17N3O4S/c30-23(18-11-5-2-6-12-18)29-21(17-9-3-1-4-10-17)16-28(27-26(29)34)24(31)20-15-19-13-7-8-14-22(19)33-25(20)32/h1-16H,(H,27,34)