9-chloranyl-3-methyl-7-phenyl-5H-pyrimido[1,2-a][1,4]benzodiazepine-1-thione

Systemtic Name: 9-chloranyl-3-methyl-7-phenyl-5H-pyrimido[1,2-a][1,4]benzodiazepine-1-thione Openeye Name: 9-chloro-3-methyl-7-phenyl-5H-pyrimido[1,2-a][1,4]benzodiazepine-1-thione CAS Name: 9-chloro-3-methyl-7-phenyl-5H-pyrimido[1,2-a][1,4]benzodiazepine-1-thione IUPAC Name: 9-chloro-3-methyl-7-phenyl-5H-pyrimido[1,2-a][1,4]benzodiazepine-1-thione Traditional Name: 9-chloro-3-methyl-7-phenyl-5H-pyrimido[1,2-a][1,4]benzodiazepine-1-thione Formula: C19H14ClN3S MolecularWeight: 351.85256

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=S)N2C(=N1)CN=C(C3=C2C=CC(=C3)Cl)C4=CC=CC=C4

Isomeric SMILES

CC1=CC(=S)N2C(=N1)CN=C(C3=C2C=CC(=C3)Cl)C4=CC=CC=C4

InChI

InChI=1S/C19H14ClN3S/c1-12-9-18(24)23-16-8-7-14(20)10-15(16)19(21-11-17(23)22-12)13-5-3-2-4-6-13/h2-10H,11H2,1H3