5-(4-morpholin-4-ylsulfonyl-2-nitro-phenyl)sulfanyl-N-prop-2-enyl-1,3,4-thiadiazol-2-amine

Systemtic Name: 5-(4-morpholin-4-ylsulfonyl-2-nitro-phenyl)sulfanyl-N-prop-2-enyl-1,3,4-thiadiazol-2-amine Openeye Name: N-allyl-5-(4-morpholinosulfonyl-2-nitro-phenyl)sulfanyl-1,3,4-thiadiazol-2-amine CAS Name: 5-[[4-(4-morpholinylsulfonyl)-2-nitrophenyl]thio]-N-prop-2-enyl-1,3,4-thiadiazol-2-amine IUPAC Name: 5-(4-morpholin-4-ylsulfonyl-2-nitrophenyl)sulfanyl-N-prop-2-enyl-1,3,4-thiadiazol-2-amine Traditional Name: allyl-[5-[(4-morpholinosulfonyl-2-nitro-phenyl)thio]-1,3,4-thiadiazol-2-yl]amine Formula: C15H17N5O5S3 MolecularWeight: 443.52098

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC1=NN=C(S1)SC2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

C=CCNC1=NN=C(S1)SC2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C15H17N5O5S3/c1-2-5-16-14-17-18-15(27-14)26-13-4-3-11(10-12(13)20(21)22)28(23,24)19-6-8-25-9-7-19/h2-4,10H,1,5-9H2,(H,16,17)