1-(3-bromanyl-4-methoxy-phenyl)-2-[[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone

Systemtic Name: 1-(3-bromanyl-4-methoxy-phenyl)-2-[[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone Openeye Name: 1-(3-bromo-4-methoxy-phenyl)-2-[[5-(isopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone CAS Name: 1-(3-bromo-4-methoxyphenyl)-2-[[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]thio]ethanone IUPAC Name: 1-(3-bromo-4-methoxyphenyl)-2-[[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone Traditional Name: 1-(3-bromo-4-methoxy-phenyl)-2-[[5-(isopropylamino)-1,3,4-thiadiazol-2-yl]thio]ethanone Formula: C14H16BrN3O2S2 MolecularWeight: 402.32974

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC1=NN=C(S1)SCC(=O)C2=CC(=C(C=C2)OC)Br

Isomeric SMILES

CC(C)NC1=NN=C(S1)SCC(=O)C2=CC(=C(C=C2)OC)Br

InChI

InChI=1S/C14H16BrN3O2S2/c1-8(2)16-13-17-18-14(22-13)21-7-11(19)9-4-5-12(20-3)10(15)6-9/h4-6,8H,7H2,1-3H3,(H,16,17)