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

Systemtic Name: 4-[[5-[(4-methylphenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-7-oxidanyl-chromen-2-one Openeye Name: 7-hydroxy-4-[[5-(4-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]chromen-2-one CAS Name: 7-hydroxy-4-[[[5-(4-methylanilino)-1,3,4-thiadiazol-2-yl]thio]methyl]-1-benzopyran-2-one IUPAC Name: 7-hydroxy-4-[[5-(4-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]chromen-2-one Traditional Name: 7-hydroxy-4-[[[5-(p-toluidino)-1,3,4-thiadiazol-2-yl]thio]methyl]coumarin Formula: C19H15N3O3S2 MolecularWeight: 397.4707

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=NN=C(S2)SCC3=CC(=O)OC4=C3C=CC(=C4)O

Isomeric SMILES

CC1=CC=C(C=C1)NC2=NN=C(S2)SCC3=CC(=O)OC4=C3C=CC(=C4)O

InChI

InChI=1S/C19H15N3O3S2/c1-11-2-4-13(5-3-11)20-18-21-22-19(27-18)26-10-12-8-17(24)25-16-9-14(23)6-7-15(12)16/h2-9,23H,10H2,1H3,(H,20,21)