4-(4-methoxy-3-nitro-phenyl)-3,4,5,6-tetrahydro-1H-benzo[h]quinazoline-2-thione

Systemtic Name: 4-(4-methoxy-3-nitro-phenyl)-3,4,5,6-tetrahydro-1H-benzo[h]quinazoline-2-thione Openeye Name: 4-(4-methoxy-3-nitro-phenyl)-3,4,5,6-tetrahydro-1H-benzo[h]quinazoline-2-thione CAS Name: 4-(4-methoxy-3-nitrophenyl)-3,4,5,6-tetrahydro-1H-benzo[h]quinazoline-2-thione IUPAC Name: 4-(4-methoxy-3-nitrophenyl)-3,4,5,6-tetrahydro-1H-benzo[h]quinazoline-2-thione Traditional Name: 4-(4-methoxy-3-nitro-phenyl)-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=C(C=C(C=C1)C2C3=C(C4=CC=CC=C4CC3)NC(=S)N2)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C2C3=C(C4=CC=CC=C4CC3)NC(=S)N2)[N+](=O)[O-]

InChI

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