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

Systemtic Name: 4-[[5-(tert-butylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-7-oxidanyl-chromen-2-one Openeye Name: 4-[[5-(tert-butylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-7-hydroxy-chromen-2-one CAS Name: 4-[[[5-(tert-butylamino)-1,3,4-thiadiazol-2-yl]thio]methyl]-7-hydroxy-1-benzopyran-2-one IUPAC Name: 4-[[5-(tert-butylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-7-hydroxychromen-2-one Traditional Name: 4-[[[5-(tert-butylamino)-1,3,4-thiadiazol-2-yl]thio]methyl]-7-hydroxy-coumarin Formula: C16H17N3O3S2 MolecularWeight: 363.45448

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC1=NN=C(S1)SCC2=CC(=O)OC3=C2C=CC(=C3)O

Isomeric SMILES

CC(C)(C)NC1=NN=C(S1)SCC2=CC(=O)OC3=C2C=CC(=C3)O

InChI

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