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

Systemtic Name: 4-[[5-[(3-chloranyl-2-methyl-phenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]-1-phenyl-butan-1-one Openeye Name: 4-[[5-(3-chloro-2-methyl-anilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1-phenyl-butan-1-one CAS Name: 4-[[5-(3-chloro-2-methylanilino)-1,3,4-thiadiazol-2-yl]thio]-1-phenyl-1-butanone IUPAC Name: 4-[[5-(3-chloro-2-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1-phenylbutan-1-one Traditional Name: 4-[[5-(3-chloro-2-methyl-anilino)-1,3,4-thiadiazol-2-yl]thio]-1-phenyl-butan-1-one Formula: C19H18ClN3OS2 MolecularWeight: 403.94872

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC2=NN=C(S2)SCCCC(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC2=NN=C(S2)SCCCC(=O)C3=CC=CC=C3

InChI

InChI=1S/C19H18ClN3OS2/c1-13-15(20)9-5-10-16(13)21-18-22-23-19(26-18)25-12-6-11-17(24)14-7-3-2-4-8-14/h2-5,7-10H,6,11-12H2,1H3,(H,21,22)