8-methyl-4-oxidanidyl-5-(phenylmethyl)-3,5-dihydro-2H-pyridazino[4,5-f][1,4]thiazepin-9-one

Systemtic Name: 8-methyl-4-oxidanidyl-5-(phenylmethyl)-3,5-dihydro-2H-pyridazino[4,5-f][1,4]thiazepin-9-one Openeye Name: 5-benzyl-8-methyl-4-oxido-3,5-dihydro-2H-pyridazino[4,5-f][1,4]thiazepin-9-one CAS Name: 8-methyl-4-oxido-5-(phenylmethyl)-3,5-dihydro-2H-pyridazino[4,5-f][1,4]thiazepin-9-one IUPAC Name: 5-benzyl-8-methyl-4-oxido-3,5-dihydro-2H-pyridazino[4,5-f][1,4]thiazepin-9-one Traditional Name: 5-benzyl-8-methyl-4-oxido-3,5-dihydro-2H-pyridazino[4,5-f][1,4]thiazepin-9-one Formula: C15H16N3O2S- MolecularWeight: 302.37144

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(C=N1)C(N(CCS2)[O-])CC3=CC=CC=C3

Isomeric SMILES

CN1C(=O)C2=C(C=N1)C(N(CCS2)[O-])CC3=CC=CC=C3

InChI

InChI=1S/C15H16N3O2S/c1-17-15(19)14-12(10-16-17)13(18(20)7-8-21-14)9-11-5-3-2-4-6-11/h2-6,10,13H,7-9H2,1H3/q-1