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

Systemtic Name: 7-methoxy-4-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]chromen-2-one Openeye Name: 4-[[5-(isobutylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-7-methoxy-chromen-2-one CAS Name: 7-methoxy-4-[[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]thio]methyl]-1-benzopyran-2-one IUPAC Name: 7-methoxy-4-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]chromen-2-one Traditional Name: 4-[[[5-(isobutylamino)-1,3,4-thiadiazol-2-yl]thio]methyl]-7-methoxy-coumarin Formula: C17H19N3O3S2 MolecularWeight: 377.48106

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC1=NN=C(S1)SCC2=CC(=O)OC3=C2C=CC(=C3)OC

Isomeric SMILES

CC(C)CNC1=NN=C(S1)SCC2=CC(=O)OC3=C2C=CC(=C3)OC

InChI

InChI=1S/C17H19N3O3S2/c1-10(2)8-18-16-19-20-17(25-16)24-9-11-6-15(21)23-14-7-12(22-3)4-5-13(11)14/h4-7,10H,8-9H2,1-3H3,(H,18,19)