N-(3-chloranyl-4-methyl-phenyl)-5-[(3-morpholin-4-ylsulfonylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine

Systemtic Name: N-(3-chloranyl-4-methyl-phenyl)-5-[(3-morpholin-4-ylsulfonylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine Openeye Name: N-(3-chloro-4-methyl-phenyl)-5-[(3-morpholinosulfonylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine CAS Name: N-(3-chloro-4-methylphenyl)-5-[[3-(4-morpholinylsulfonyl)phenyl]methylthio]-1,3,4-thiadiazol-2-amine IUPAC Name: N-(3-chloro-4-methylphenyl)-5-[(3-morpholin-4-ylsulfonylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine Traditional Name: (3-chloro-4-methyl-phenyl)-[5-[(3-morpholinosulfonylbenzyl)thio]-1,3,4-thiadiazol-2-yl]amine Formula: C20H21ClN4O3S3 MolecularWeight: 497.05374

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC2=NN=C(S2)SCC3=CC(=CC=C3)S(=O)(=O)N4CCOCC4)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC2=NN=C(S2)SCC3=CC(=CC=C3)S(=O)(=O)N4CCOCC4)Cl

InChI

InChI=1S/C20H21ClN4O3S3/c1-14-5-6-16(12-18(14)21)22-19-23-24-20(30-19)29-13-15-3-2-4-17(11-15)31(26,27)25-7-9-28-10-8-25/h2-6,11-12H,7-10,13H2,1H3,(H,22,23)