1-(azepan-1-yl)-2-[[5-[(3-chloranyl-4-methyl-phenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone

Systemtic Name: 1-(azepan-1-yl)-2-[[5-[(3-chloranyl-4-methyl-phenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone Openeye Name: 1-(azepan-1-yl)-2-[[5-(3-chloro-4-methyl-anilino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone CAS Name: 1-(1-azepanyl)-2-[[5-(3-chloro-4-methylanilino)-1,3,4-thiadiazol-2-yl]thio]ethanone IUPAC Name: 1-(azepan-1-yl)-2-[[5-(3-chloro-4-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone Traditional Name: 1-(azepan-1-yl)-2-[[5-(3-chloro-4-methyl-anilino)-1,3,4-thiadiazol-2-yl]thio]ethanone Formula: C17H21ClN4OS2 MolecularWeight: 396.95784

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC2=NN=C(S2)SCC(=O)N3CCCCCC3)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC2=NN=C(S2)SCC(=O)N3CCCCCC3)Cl

InChI

InChI=1S/C17H21ClN4OS2/c1-12-6-7-13(10-14(12)18)19-16-20-21-17(25-16)24-11-15(23)22-8-4-2-3-5-9-22/h6-7,10H,2-5,8-9,11H2,1H3,(H,19,20)