1-cyclohexyl-3-methyl-4-(3-nitrophenyl)-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one

Systemtic Name: 1-cyclohexyl-3-methyl-4-(3-nitrophenyl)-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one Openeye Name: 1-cyclohexyl-3-methyl-4-(3-nitrophenyl)-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one CAS Name: 1-cyclohexyl-3-methyl-4-(3-nitrophenyl)-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one IUPAC Name: 1-cyclohexyl-3-methyl-4-(3-nitrophenyl)-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one Traditional Name: 1-cyclohexyl-3-methyl-4-(3-nitrophenyl)-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one Formula: C19H22N4O3S MolecularWeight: 386.46798

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(SCC(=O)N=C2N(N1)C3CCCCC3)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=C2C(SCC(=O)N=C2N(N1)C3CCCCC3)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C19H22N4O3S/c1-12-17-18(13-6-5-9-15(10-13)23(25)26)27-11-16(24)20-19(17)22(21-12)14-7-3-2-4-8-14/h5-6,9-10,14,18,21H,2-4,7-8,11H2,1H3