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

Systemtic Name: 5-[(3-morpholin-4-ylsulfonylphenyl)methylsulfanyl]-N-(phenylmethyl)-1,3,4-thiadiazol-2-amine Openeye Name: N-benzyl-5-[(3-morpholinosulfonylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine CAS Name: 5-[[3-(4-morpholinylsulfonyl)phenyl]methylthio]-N-(phenylmethyl)-1,3,4-thiadiazol-2-amine IUPAC Name: N-benzyl-5-[(3-morpholin-4-ylsulfonylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine Traditional Name: benzyl-[5-[(3-morpholinosulfonylbenzyl)thio]-1,3,4-thiadiazol-2-yl]amine Formula: C20H22N4O3S3 MolecularWeight: 462.60868

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC=CC(=C2)CSC3=NN=C(S3)NCC4=CC=CC=C4

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=CC(=C2)CSC3=NN=C(S3)NCC4=CC=CC=C4

InChI

InChI=1S/C20H22N4O3S3/c25-30(26,24-9-11-27-12-10-24)18-8-4-7-17(13-18)15-28-20-23-22-19(29-20)21-14-16-5-2-1-3-6-16/h1-8,13H,9-12,14-15H2,(H,21,22)