4-(4-chlorophenyl)-3,8-dimethyl-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one

Systemtic Name: 4-(4-chlorophenyl)-3,8-dimethyl-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one Openeye Name: 4-(4-chlorophenyl)-3,8-dimethyl-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one CAS Name: 4-(4-chlorophenyl)-3,8-dimethyl-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one IUPAC Name: 4-(4-chlorophenyl)-3,8-dimethyl-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one Traditional Name: 4-(4-chlorophenyl)-3,8-dimethyl-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one Formula: C14H14ClN3OS MolecularWeight: 307.79846

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(SCC(=O)N(C2=NN1)C)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=C2C(SCC(=O)N(C2=NN1)C)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C14H14ClN3OS/c1-8-12-13(9-3-5-10(15)6-4-9)20-7-11(19)18(2)14(12)17-16-8/h3-6,13H,7H2,1-2H3,(H,16,17)