(4S)-8-methoxy-4-(4-nitrophenyl)-3,4,5,6-tetrahydro-1H-benzo[h]quinazoline-2-thione

Systemtic Name: (4S)-8-methoxy-4-(4-nitrophenyl)-3,4,5,6-tetrahydro-1H-benzo[h]quinazoline-2-thione Openeye Name: (4S)-8-methoxy-4-(4-nitrophenyl)-3,4,5,6-tetrahydro-1H-benzo[h]quinazoline-2-thione CAS Name: (4S)-8-methoxy-4-(4-nitrophenyl)-3,4,5,6-tetrahydro-1H-benzo[h]quinazoline-2-thione IUPAC Name: (4S)-8-methoxy-4-(4-nitrophenyl)-3,4,5,6-tetrahydro-1H-benzo[h]quinazoline-2-thione Traditional Name: (4S)-8-methoxy-4-(4-nitrophenyl)-3,4,5,6-tetrahydro-1H-benzo[h]quinazoline-2-thione Formula: C19H17N3O3S MolecularWeight: 367.42158

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C3=C(CC2)C(NC(=S)N3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC2=C(C=C1)C3=C(CC2)[C@@H](NC(=S)N3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C19H17N3O3S/c1-25-14-7-9-15-12(10-14)4-8-16-17(20-19(26)21-18(15)16)11-2-5-13(6-3-11)22(23)24/h2-3,5-7,9-10,17H,4,8H2,1H3,(H2,20,21,26)/t17-/m0/s1