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

Systemtic Name: azepan-1-yl-(5-phenyl-3,4-dihydropyrazol-2-yl)methanethione Openeye Name: azepan-1-yl-(5-phenyl-3,4-dihydropyrazol-2-yl)methanethione CAS Name: 1-azepanyl-(5-phenyl-3,4-dihydropyrazol-2-yl)methanethione IUPAC Name: azepan-1-yl-(5-phenyl-3,4-dihydropyrazol-2-yl)methanethione Traditional Name: azepan-1-yl-(3-phenyl-2-pyrazolin-1-yl)methanethione Formula: C16H21N3S MolecularWeight: 287.42304

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N3S/c20-16(18-11-6-1-2-7-12-18)19-13-10-15(17-19)14-8-4-3-5-9-14/h3-5,8-9H,1-2,6-7,10-13H2