azepan-1-yl-[5-(3-bromophenyl)-3,4-dihydropyrazol-2-yl]methanethione

Systemtic Name: azepan-1-yl-[5-(3-bromophenyl)-3,4-dihydropyrazol-2-yl]methanethione Openeye Name: azepan-1-yl-[5-(3-bromophenyl)-3,4-dihydropyrazol-2-yl]methanethione CAS Name: 1-azepanyl-[5-(3-bromophenyl)-3,4-dihydropyrazol-2-yl]methanethione IUPAC Name: azepan-1-yl-[5-(3-bromophenyl)-3,4-dihydropyrazol-2-yl]methanethione Traditional Name: azepan-1-yl-[3-(3-bromophenyl)-2-pyrazolin-1-yl]methanethione Formula: C16H20BrN3S MolecularWeight: 366.3191

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=S)N2CCC(=N2)C3=CC(=CC=C3)Br

Isomeric SMILES

C1CCCN(CC1)C(=S)N2CCC(=N2)C3=CC(=CC=C3)Br

InChI

InChI=1S/C16H20BrN3S/c17-14-7-5-6-13(12-14)15-8-11-20(18-15)16(21)19-9-3-1-2-4-10-19/h5-7,12H,1-4,8-11H2