2-phenyl-1-(pyridin-3-ylmethyl)-4a,5,6,7,8,8a-hexahydroquinazoline-4-thione

Systemtic Name: 2-phenyl-1-(pyridin-3-ylmethyl)-4a,5,6,7,8,8a-hexahydroquinazoline-4-thione Openeye Name: 2-phenyl-1-(3-pyridylmethyl)-4a,5,6,7,8,8a-hexahydroquinazoline-4-thione CAS Name: 2-phenyl-1-(3-pyridinylmethyl)-4a,5,6,7,8,8a-hexahydroquinazoline-4-thione IUPAC Name: 2-phenyl-1-(pyridin-3-ylmethyl)-4a,5,6,7,8,8a-hexahydroquinazoline-4-thione Traditional Name: 2-phenyl-1-(3-pyridylmethyl)-4a,5,6,7,8,8a-hexahydroquinazoline-4-thione Formula: C20H21N3S MolecularWeight: 335.46584

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2C(C1)C(=S)N=C(N2CC3=CN=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1CCC2C(C1)C(=S)N=C(N2CC3=CN=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C20H21N3S/c24-20-17-10-4-5-11-18(17)23(14-15-7-6-12-21-13-15)19(22-20)16-8-2-1-3-9-16/h1-3,6-9,12-13,17-18H,4-5,10-11,14H2