3-methyl-1-oxidanylidene-N-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)-4H-isochromene-3-carboxamide

Systemtic Name: 3-methyl-1-oxidanylidene-N-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)-4H-isochromene-3-carboxamide Openeye Name: 3-methyl-1-oxo-N-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)isochromane-3-carboxamide CAS Name: 3-methyl-1-oxo-N-[5-(propylthio)-1,3,4-thiadiazol-2-yl]-3,4-dihydro-1H-2-benzopyran-3-carboxamide IUPAC Name: 3-methyl-1-oxo-N-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)-4H-isochromene-3-carboxamide Traditional Name: 1-keto-3-methyl-N-[5-(propylthio)-1,3,4-thiadiazol-2-yl]isochroman-3-carboxamide Formula: C16H17N3O3S2 MolecularWeight: 363.45448

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NN=C(S1)NC(=O)C2(CC3=CC=CC=C3C(=O)O2)C

Isomeric SMILES

CCCSC1=NN=C(S1)NC(=O)C2(CC3=CC=CC=C3C(=O)O2)C

InChI

InChI=1S/C16H17N3O3S2/c1-3-8-23-15-19-18-14(24-15)17-13(21)16(2)9-10-6-4-5-7-11(10)12(20)22-16/h4-7H,3,8-9H2,1-2H3,(H,17,18,21)