(4S)-4-(4-methylsulfanylphenyl)-4,4a,5,6-tetrahydro-3H-benzo[h]quinazoline-2-thione

Systemtic Name: (4S)-4-(4-methylsulfanylphenyl)-4,4a,5,6-tetrahydro-3H-benzo[h]quinazoline-2-thione Openeye Name: (4S)-4-(4-methylsulfanylphenyl)-4,4a,5,6-tetrahydro-3H-benzo[h]quinazoline-2-thione CAS Name: (4S)-4-[4-(methylthio)phenyl]-4,4a,5,6-tetrahydro-3H-benzo[h]quinazoline-2-thione IUPAC Name: (4S)-4-(4-methylsulfanylphenyl)-4,4a,5,6-tetrahydro-3H-benzo[h]quinazoline-2-thione Traditional Name: (4S)-4-[4-(methylthio)phenyl]-4,4a,5,6-tetrahydro-3H-benzo[h]quinazoline-2-thione Formula: C19H18N2S2 MolecularWeight: 338.48962

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C2C3CCC4=CC=CC=C4C3=NC(=S)N2

Isomeric SMILES

CSC1=CC=C(C=C1)[C@@H]2C3CCC4=CC=CC=C4C3=NC(=S)N2

InChI

InChI=1S/C19H18N2S2/c1-23-14-9-6-13(7-10-14)17-16-11-8-12-4-2-3-5-15(12)18(16)21-19(22)20-17/h2-7,9-10,16-17H,8,11H2,1H3,(H,20,22)/t16?,17-/m1/s1