azepan-1-yl-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)methanethione

Systemtic Name: azepan-1-yl-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)methanethione Openeye Name: azepan-1-yl-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)methanethione CAS Name: 1-azepanyl-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)methanethione IUPAC Name: azepan-1-yl-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)methanethione Traditional Name: azepan-1-yl-(3,5-diphenyl-2-pyrazolin-1-yl)methanethione Formula: C22H25N3S MolecularWeight: 363.519

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=S)N2C(CC(=N2)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1CCCN(CC1)C(=S)N2C(CC(=N2)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C22H25N3S/c26-22(24-15-9-1-2-10-16-24)25-21(19-13-7-4-8-14-19)17-20(23-25)18-11-5-3-6-12-18/h3-8,11-14,21H,1-2,9-10,15-17H2