(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-(4-pyrazol-1-ylphenyl)methanone

Systemtic Name: (2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-(4-pyrazol-1-ylphenyl)methanone Openeye Name: (2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-(4-pyrazol-1-ylphenyl)methanone CAS Name: (2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-[4-(1-pyrazolyl)phenyl]methanone IUPAC Name: (2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-(4-pyrazol-1-ylphenyl)methanone Traditional Name: (2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-(4-pyrazol-1-ylphenyl)methanone Formula: C20H19N3OS MolecularWeight: 349.44936

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(C2=CC=CC=C2S1)C(=O)C3=CC=C(C=C3)N4C=CC=N4

Isomeric SMILES

CC1CCN(C2=CC=CC=C2S1)C(=O)C3=CC=C(C=C3)N4C=CC=N4

InChI

InChI=1S/C20H19N3OS/c1-15-11-14-22(18-5-2-3-6-19(18)25-15)20(24)16-7-9-17(10-8-16)23-13-4-12-21-23/h2-10,12-13,15H,11,14H2,1H3