4-[[5-[(2-ethoxyphenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-7-methyl-chromen-2-one

Systemtic Name: 4-[[5-[(2-ethoxyphenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-7-methyl-chromen-2-one Openeye Name: 4-[[5-(2-ethoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-7-methyl-chromen-2-one CAS Name: 4-[[[5-(2-ethoxyanilino)-1,3,4-thiadiazol-2-yl]thio]methyl]-7-methyl-1-benzopyran-2-one IUPAC Name: 4-[[5-(2-ethoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-7-methylchromen-2-one Traditional Name: 7-methyl-4-[[[5-(o-phenetidino)-1,3,4-thiadiazol-2-yl]thio]methyl]coumarin Formula: C21H19N3O3S2 MolecularWeight: 425.52386

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC2=NN=C(S2)SCC3=CC(=O)OC4=C3C=CC(=C4)C

Isomeric SMILES

CCOC1=CC=CC=C1NC2=NN=C(S2)SCC3=CC(=O)OC4=C3C=CC(=C4)C

InChI

InChI=1S/C21H19N3O3S2/c1-3-26-17-7-5-4-6-16(17)22-20-23-24-21(29-20)28-12-14-11-19(25)27-18-10-13(2)8-9-15(14)18/h4-11H,3,12H2,1-2H3,(H,22,23)