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

Systemtic Name: 7-bromanyl-4-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]chromen-2-one Openeye Name: 4-[[5-(allylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-7-bromo-chromen-2-one CAS Name: 7-bromo-4-[[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]thio]methyl]-1-benzopyran-2-one IUPAC Name: 7-bromo-4-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]chromen-2-one Traditional Name: 4-[[[5-(allylamino)-1,3,4-thiadiazol-2-yl]thio]methyl]-7-bromo-coumarin Formula: C15H12BrN3O2S2 MolecularWeight: 410.30868

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC1=NN=C(S1)SCC2=CC(=O)OC3=C2C=CC(=C3)Br

Isomeric SMILES

C=CCNC1=NN=C(S1)SCC2=CC(=O)OC3=C2C=CC(=C3)Br

InChI

InChI=1S/C15H12BrN3O2S2/c1-2-5-17-14-18-19-15(23-14)22-8-9-6-13(20)21-12-7-10(16)3-4-11(9)12/h2-4,6-7H,1,5,8H2,(H,17,18)