1-(4-methylphenyl)-2-phenyl-5,6,7,8-tetrahydro-4aH-quinazolin-1-ium-4-thione

Systemtic Name: 1-(4-methylphenyl)-2-phenyl-5,6,7,8-tetrahydro-4aH-quinazolin-1-ium-4-thione Openeye Name: 2-phenyl-1-(p-tolyl)-5,6,7,8-tetrahydro-4aH-quinazolin-1-ium-4-thione CAS Name: 1-(4-methylphenyl)-2-phenyl-5,6,7,8-tetrahydro-4aH-quinazolin-1-ium-4-thione IUPAC Name: 1-(4-methylphenyl)-2-phenyl-5,6,7,8-tetrahydro-4aH-quinazolin-1-ium-4-thione Traditional Name: 2-phenyl-1-(p-tolyl)-5,6,7,8-tetrahydro-4aH-quinazolin-1-ium-4-thione Formula: C21H21N2S+ MolecularWeight: 333.46984

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)[N+]2=C3CCCCC3C(=S)N=C2C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)[N+]2=C3CCCCC3C(=S)N=C2C4=CC=CC=C4

InChI

InChI=1S/C21H21N2S/c1-15-11-13-17(14-12-15)23-19-10-6-5-9-18(19)21(24)22-20(23)16-7-3-2-4-8-16/h2-4,7-8,11-14,18H,5-6,9-10H2,1H3/q+1