N-(5-chloranyl-2-methyl-phenyl)-5-(4-morpholin-4-yl-3-nitro-phenyl)-1,3,4-thiadiazol-2-amine

Systemtic Name: N-(5-chloranyl-2-methyl-phenyl)-5-(4-morpholin-4-yl-3-nitro-phenyl)-1,3,4-thiadiazol-2-amine Openeye Name: N-(5-chloro-2-methyl-phenyl)-5-(4-morpholino-3-nitro-phenyl)-1,3,4-thiadiazol-2-amine CAS Name: N-(5-chloro-2-methylphenyl)-5-[4-(4-morpholinyl)-3-nitrophenyl]-1,3,4-thiadiazol-2-amine IUPAC Name: N-(5-chloro-2-methylphenyl)-5-(4-morpholin-4-yl-3-nitrophenyl)-1,3,4-thiadiazol-2-amine Traditional Name: (5-chloro-2-methyl-phenyl)-[5-(4-morpholino-3-nitro-phenyl)-1,3,4-thiadiazol-2-yl]amine Formula: C19H18ClN5O3S MolecularWeight: 431.89592

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)NC2=NN=C(S2)C3=CC(=C(C=C3)N4CCOCC4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)NC2=NN=C(S2)C3=CC(=C(C=C3)N4CCOCC4)[N+](=O)[O-]

InChI

InChI=1S/C19H18ClN5O3S/c1-12-2-4-14(20)11-15(12)21-19-23-22-18(29-19)13-3-5-16(17(10-13)25(26)27)24-6-8-28-9-7-24/h2-5,10-11H,6-9H2,1H3,(H,21,23)