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

Systemtic Name: 1-(4-butylphenyl)-2-[[5-[(3-methoxyphenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone Openeye Name: 1-(4-butylphenyl)-2-[[5-(3-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone CAS Name: 1-(4-butylphenyl)-2-[[5-(3-methoxyanilino)-1,3,4-thiadiazol-2-yl]thio]ethanone IUPAC Name: 1-(4-butylphenyl)-2-[[5-(3-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone Traditional Name: 1-(4-butylphenyl)-2-[[5-(m-anisidino)-1,3,4-thiadiazol-2-yl]thio]ethanone Formula: C21H23N3O2S2 MolecularWeight: 413.55622

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(=O)CSC2=NN=C(S2)NC3=CC(=CC=C3)OC

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(=O)CSC2=NN=C(S2)NC3=CC(=CC=C3)OC

InChI

InChI=1S/C21H23N3O2S2/c1-3-4-6-15-9-11-16(12-10-15)19(25)14-27-21-24-23-20(28-21)22-17-7-5-8-18(13-17)26-2/h5,7-13H,3-4,6,14H2,1-2H3,(H,22,23)