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

Systemtic Name: 5-[(3-morpholin-4-ylsulfonylphenyl)methylsulfanyl]-N-prop-2-enyl-1,3,4-thiadiazol-2-amine Openeye Name: N-allyl-5-[(3-morpholinosulfonylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine CAS Name: 5-[[3-(4-morpholinylsulfonyl)phenyl]methylthio]-N-prop-2-enyl-1,3,4-thiadiazol-2-amine IUPAC Name: 5-[(3-morpholin-4-ylsulfonylphenyl)methylsulfanyl]-N-prop-2-enyl-1,3,4-thiadiazol-2-amine Traditional Name: allyl-[5-[(3-morpholinosulfonylbenzyl)thio]-1,3,4-thiadiazol-2-yl]amine Formula: C16H20N4O3S3 MolecularWeight: 412.55

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC1=NN=C(S1)SCC2=CC(=CC=C2)S(=O)(=O)N3CCOCC3

Isomeric SMILES

C=CCNC1=NN=C(S1)SCC2=CC(=CC=C2)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C16H20N4O3S3/c1-2-6-17-15-18-19-16(25-15)24-12-13-4-3-5-14(11-13)26(21,22)20-7-9-23-10-8-20/h2-5,11H,1,6-10,12H2,(H,17,18)