8-methyl-5-(2-phenylethanoyl)-3,4-dihydro-2H-pyridazino[4,5-b][1,4]thiazepin-9-one

Systemtic Name: 8-methyl-5-(2-phenylethanoyl)-3,4-dihydro-2H-pyridazino[4,5-b][1,4]thiazepin-9-one Openeye Name: 8-methyl-5-(2-phenylacetyl)-3,4-dihydro-2H-pyridazino[4,5-b][1,4]thiazepin-9-one CAS Name: 8-methyl-5-(1-oxo-2-phenylethyl)-3,4-dihydro-2H-pyridazino[4,5-b][1,4]thiazepin-9-one IUPAC Name: 8-methyl-5-(2-phenylacetyl)-3,4-dihydro-2H-pyridazino[4,5-b][1,4]thiazepin-9-one Traditional Name: 8-methyl-5-(2-phenylacetyl)-3,4-dihydro-2H-pyridazino[4,5-b][1,4]thiazepin-9-one Formula: C16H17N3O2S MolecularWeight: 315.39008

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(C=N1)N(CCCS2)C(=O)CC3=CC=CC=C3

Isomeric SMILES

CN1C(=O)C2=C(C=N1)N(CCCS2)C(=O)CC3=CC=CC=C3

InChI

InChI=1S/C16H17N3O2S/c1-18-16(21)15-13(11-17-18)19(8-5-9-22-15)14(20)10-12-6-3-2-4-7-12/h2-4,6-7,11H,5,8-10H2,1H3