3,4-diphenyl-2,4-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-one

Systemtic Name: 3,4-diphenyl-2,4-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-one Openeye Name: 3,4-diphenyl-2,4-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-one CAS Name: 3,4-diphenyl-2,4-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-one IUPAC Name: 3,4-diphenyl-2,4-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-one Traditional Name: 3,4-diphenyl-2,4-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-one Formula: C18H15N3OS MolecularWeight: 321.3962

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)N=C2C(=C(NN2)C3=CC=CC=C3)C(S1)C4=CC=CC=C4

Isomeric SMILES

C1C(=O)N=C2C(=C(NN2)C3=CC=CC=C3)C(S1)C4=CC=CC=C4

InChI

InChI=1S/C18H15N3OS/c22-14-11-23-17(13-9-5-2-6-10-13)15-16(20-21-18(15)19-14)12-7-3-1-4-8-12/h1-10,17H,11H2,(H2,19,20,21,22)