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

Systemtic Name: 4-[[5-[(2,3-dimethylphenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-7-methoxy-chromen-2-one Openeye Name: 4-[[5-(2,3-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-7-methoxy-chromen-2-one CAS Name: 4-[[[5-(2,3-dimethylanilino)-1,3,4-thiadiazol-2-yl]thio]methyl]-7-methoxy-1-benzopyran-2-one IUPAC Name: 4-[[5-(2,3-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-7-methoxychromen-2-one Traditional Name: 4-[[[5-(2,3-dimethylanilino)-1,3,4-thiadiazol-2-yl]thio]methyl]-7-methoxy-coumarin Formula: C21H19N3O3S2 MolecularWeight: 425.52386

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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