2-[[5-(butylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1-(3-methoxyphenyl)ethanone

Systemtic Name: 2-[[5-(butylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1-(3-methoxyphenyl)ethanone Openeye Name: 2-[[5-(butylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1-(3-methoxyphenyl)ethanone CAS Name: 2-[[5-(butylamino)-1,3,4-thiadiazol-2-yl]thio]-1-(3-methoxyphenyl)ethanone IUPAC Name: 2-[[5-(butylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1-(3-methoxyphenyl)ethanone Traditional Name: 2-[[5-(butylamino)-1,3,4-thiadiazol-2-yl]thio]-1-(3-methoxyphenyl)ethanone Formula: C15H19N3O2S2 MolecularWeight: 337.46026

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NN=C(S1)SCC(=O)C2=CC(=CC=C2)OC

Isomeric SMILES

CCCCNC1=NN=C(S1)SCC(=O)C2=CC(=CC=C2)OC

InChI

InChI=1S/C15H19N3O2S2/c1-3-4-8-16-14-17-18-15(22-14)21-10-13(19)11-6-5-7-12(9-11)20-2/h5-7,9H,3-4,8,10H2,1-2H3,(H,16,17)