4-[[5-[(3-methoxyphenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]-1-thiophen-2-yl-butan-1-one

Systemtic Name: 4-[[5-[(3-methoxyphenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]-1-thiophen-2-yl-butan-1-one Openeye Name: 4-[[5-(3-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1-(2-thienyl)butan-1-one CAS Name: 4-[[5-(3-methoxyanilino)-1,3,4-thiadiazol-2-yl]thio]-1-thiophen-2-yl-1-butanone IUPAC Name: 4-[[5-(3-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1-thiophen-2-ylbutan-1-one Traditional Name: 4-[[5-(m-anisidino)-1,3,4-thiadiazol-2-yl]thio]-1-(2-thienyl)butan-1-one Formula: C17H17N3O2S3 MolecularWeight: 391.53078

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC2=NN=C(S2)SCCCC(=O)C3=CC=CS3

Isomeric SMILES

COC1=CC=CC(=C1)NC2=NN=C(S2)SCCCC(=O)C3=CC=CS3

InChI

InChI=1S/C17H17N3O2S3/c1-22-13-6-2-5-12(11-13)18-16-19-20-17(25-16)24-10-3-7-14(21)15-8-4-9-23-15/h2,4-6,8-9,11H,3,7,10H2,1H3,(H,18,19)