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

Systemtic Name: N-(furan-2-ylmethyl)-5-(4-morpholin-4-ylsulfonyl-2-nitro-phenyl)sulfanyl-1,3,4-thiadiazol-2-amine Openeye Name: N-(2-furylmethyl)-5-(4-morpholinosulfonyl-2-nitro-phenyl)sulfanyl-1,3,4-thiadiazol-2-amine CAS Name: N-(2-furanylmethyl)-5-[[4-(4-morpholinylsulfonyl)-2-nitrophenyl]thio]-1,3,4-thiadiazol-2-amine IUPAC Name: N-(furan-2-ylmethyl)-5-(4-morpholin-4-ylsulfonyl-2-nitrophenyl)sulfanyl-1,3,4-thiadiazol-2-amine Traditional Name: 2-furfuryl-[5-[(4-morpholinosulfonyl-2-nitro-phenyl)thio]-1,3,4-thiadiazol-2-yl]amine Formula: C17H17N5O6S3 MolecularWeight: 483.54178

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)SC3=NN=C(S3)NCC4=CC=CO4)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)SC3=NN=C(S3)NCC4=CC=CO4)[N+](=O)[O-]

InChI

InChI=1S/C17H17N5O6S3/c23-22(24)14-10-13(31(25,26)21-5-8-27-9-6-21)3-4-15(14)29-17-20-19-16(30-17)18-11-12-2-1-7-28-12/h1-4,7,10H,5-6,8-9,11H2,(H,18,19)