5-methyl-8-(phenylmethyl)-2,3-dihydropyridazino[4,5-b][1,4]thiazepine-4,9-dione

Systemtic Name: 5-methyl-8-(phenylmethyl)-2,3-dihydropyridazino[4,5-b][1,4]thiazepine-4,9-dione Openeye Name: 8-benzyl-5-methyl-2,3-dihydropyridazino[4,5-b][1,4]thiazepine-4,9-dione CAS Name: 5-methyl-8-(phenylmethyl)-2,3-dihydropyridazino[4,5-b][1,4]thiazepine-4,9-dione IUPAC Name: 8-benzyl-5-methyl-2,3-dihydropyridazino[4,5-b][1,4]thiazepine-4,9-dione Traditional Name: 8-benzyl-5-methyl-2,3-dihydropyridazino[4,5-b][1,4]thiazepine-4,9-quinone Formula: C15H15N3O2S MolecularWeight: 301.3635

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)CCSC2=C1C=NN(C2=O)CC3=CC=CC=C3

Isomeric SMILES

CN1C(=O)CCSC2=C1C=NN(C2=O)CC3=CC=CC=C3

InChI

InChI=1S/C15H15N3O2S/c1-17-12-9-16-18(10-11-5-3-2-4-6-11)15(20)14(12)21-8-7-13(17)19/h2-6,9H,7-8,10H2,1H3