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

Systemtic Name: N-(3,4-dimethylphenyl)-5-[(3-morpholin-4-ylsulfonylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine Openeye Name: N-(3,4-dimethylphenyl)-5-[(3-morpholinosulfonylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine CAS Name: N-(3,4-dimethylphenyl)-5-[[3-(4-morpholinylsulfonyl)phenyl]methylthio]-1,3,4-thiadiazol-2-amine IUPAC Name: N-(3,4-dimethylphenyl)-5-[(3-morpholin-4-ylsulfonylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine Traditional Name: (3,4-dimethylphenyl)-[5-[(3-morpholinosulfonylbenzyl)thio]-1,3,4-thiadiazol-2-yl]amine Formula: C21H24N4O3S3 MolecularWeight: 476.63526

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4O3S3/c1-15-6-7-18(12-16(15)2)22-20-23-24-21(30-20)29-14-17-4-3-5-19(13-17)31(26,27)25-8-10-28-11-9-25/h3-7,12-13H,8-11,14H2,1-2H3,(H,22,23)