3-[5-[(4-methylphenyl)amino]-1,3,4-thiadiazol-2-yl]-6-nitro-chromen-2-one

Systemtic Name: 3-[5-[(4-methylphenyl)amino]-1,3,4-thiadiazol-2-yl]-6-nitro-chromen-2-one Openeye Name: 3-[5-(4-methylanilino)-1,3,4-thiadiazol-2-yl]-6-nitro-chromen-2-one CAS Name: 3-[5-(4-methylanilino)-1,3,4-thiadiazol-2-yl]-6-nitro-1-benzopyran-2-one IUPAC Name: 3-[5-(4-methylanilino)-1,3,4-thiadiazol-2-yl]-6-nitrochromen-2-one Traditional Name: 6-nitro-3-[5-(p-toluidino)-1,3,4-thiadiazol-2-yl]coumarin Formula: C18H12N4O4S MolecularWeight: 380.37728

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=NN=C(S2)C3=CC4=C(C=CC(=C4)[N+](=O)[O-])OC3=O

Isomeric SMILES

CC1=CC=C(C=C1)NC2=NN=C(S2)C3=CC4=C(C=CC(=C4)[N+](=O)[O-])OC3=O

InChI

InChI=1S/C18H12N4O4S/c1-10-2-4-12(5-3-10)19-18-21-20-16(27-18)14-9-11-8-13(22(24)25)6-7-15(11)26-17(14)23/h2-9H,1H3,(H,19,21)