N-[(4S)-6-chloranyl-3,4-dihydro-2H-thiochromen-4-yl]-6-methyl-1-(2-nitrophenyl)-4-oxidanylidene-pyridazine-3-carboxamide

Systemtic Name: N-[(4S)-6-chloranyl-3,4-dihydro-2H-thiochromen-4-yl]-6-methyl-1-(2-nitrophenyl)-4-oxidanylidene-pyridazine-3-carboxamide Openeye Name: N-[(4S)-6-chlorothiochroman-4-yl]-6-methyl-1-(2-nitrophenyl)-4-oxo-pyridazine-3-carboxamide CAS Name: N-[(4S)-6-chloro-3,4-dihydro-2H-1-benzothiopyran-4-yl]-6-methyl-1-(2-nitrophenyl)-4-oxo-3-pyridazinecarboxamide IUPAC Name: N-[(4S)-6-chloro-3,4-dihydro-2H-thiochromen-4-yl]-6-methyl-1-(2-nitrophenyl)-4-oxopyridazine-3-carboxamide Traditional Name: N-[(4S)-6-chlorothiochroman-4-yl]-4-keto-6-methyl-1-(2-nitrophenyl)pyridazine-3-carboxamide Formula: C21H17ClN4O4S MolecularWeight: 456.90208

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(=NN1C2=CC=CC=C2[N+](=O)[O-])C(=O)NC3CCSC4=C3C=C(C=C4)Cl

Isomeric SMILES

CC1=CC(=O)C(=NN1C2=CC=CC=C2[N+](=O)[O-])C(=O)N[C@H]3CCSC4=C3C=C(C=C4)Cl

InChI

InChI=1S/C21H17ClN4O4S/c1-12-10-18(27)20(24-25(12)16-4-2-3-5-17(16)26(29)30)21(28)23-15-8-9-31-19-7-6-13(22)11-14(15)19/h2-7,10-11,15H,8-9H2,1H3,(H,23,28)/t15-/m0/s1