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

Systemtic Name: 7-methoxy-4-[[5-[(4-methylphenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]chromen-2-one Openeye Name: 7-methoxy-4-[[5-(4-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]chromen-2-one CAS Name: 7-methoxy-4-[[[5-(4-methylanilino)-1,3,4-thiadiazol-2-yl]thio]methyl]-1-benzopyran-2-one IUPAC Name: 7-methoxy-4-[[5-(4-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]chromen-2-one Traditional Name: 7-methoxy-4-[[[5-(p-toluidino)-1,3,4-thiadiazol-2-yl]thio]methyl]coumarin Formula: C20H17N3O3S2 MolecularWeight: 411.49728

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C20H17N3O3S2/c1-12-3-5-14(6-4-12)21-19-22-23-20(28-19)27-11-13-9-18(24)26-17-10-15(25-2)7-8-16(13)17/h3-10H,11H2,1-2H3,(H,21,22)