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

Systemtic Name: 6-bromanyl-3-[5-[(4-methoxyphenyl)amino]-1,3,4-thiadiazol-2-yl]chromen-2-one Openeye Name: 6-bromo-3-[5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]chromen-2-one CAS Name: 6-bromo-3-[5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]-1-benzopyran-2-one IUPAC Name: 6-bromo-3-[5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]chromen-2-one Traditional Name: 6-bromo-3-[5-(p-anisidino)-1,3,4-thiadiazol-2-yl]coumarin Formula: C18H12BrN3O3S MolecularWeight: 430.27518

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC2=NN=C(S2)C3=CC4=C(C=CC(=C4)Br)OC3=O

Isomeric SMILES

COC1=CC=C(C=C1)NC2=NN=C(S2)C3=CC4=C(C=CC(=C4)Br)OC3=O

InChI

InChI=1S/C18H12BrN3O3S/c1-24-13-5-3-12(4-6-13)20-18-22-21-16(26-18)14-9-10-8-11(19)2-7-15(10)25-17(14)23/h2-9H,1H3,(H,20,22)