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

Systemtic Name: 7-bromanyl-4-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]chromen-2-one Openeye Name: 7-bromo-4-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]chromen-2-one CAS Name: 7-bromo-4-[[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]thio]methyl]-1-benzopyran-2-one IUPAC Name: 7-bromo-4-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]chromen-2-one Traditional Name: 7-bromo-4-[[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]thio]methyl]coumarin Formula: C18H18BrN3O2S2 MolecularWeight: 452.38842

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC2=NN=C(S2)SCC3=CC(=O)OC4=C3C=CC(=C4)Br

Isomeric SMILES

C1CCC(CC1)NC2=NN=C(S2)SCC3=CC(=O)OC4=C3C=CC(=C4)Br

InChI

InChI=1S/C18H18BrN3O2S2/c19-12-6-7-14-11(8-16(23)24-15(14)9-12)10-25-18-22-21-17(26-18)20-13-4-2-1-3-5-13/h6-9,13H,1-5,10H2,(H,20,21)