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

Systemtic Name: 1,3-dimethyl-4-(4-nitrophenyl)-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one Openeye Name: 1,3-dimethyl-4-(4-nitrophenyl)-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one CAS Name: 1,3-dimethyl-4-(4-nitrophenyl)-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one IUPAC Name: 1,3-dimethyl-4-(4-nitrophenyl)-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one Traditional Name: 1,3-dimethyl-4-(4-nitrophenyl)-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one Formula: C14H14N4O3S MolecularWeight: 318.35096

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(SCC(=O)N=C2N(N1)C)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C2C(SCC(=O)N=C2N(N1)C)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C14H14N4O3S/c1-8-12-13(9-3-5-10(6-4-9)18(20)21)22-7-11(19)15-14(12)17(2)16-8/h3-6,13,16H,7H2,1-2H3