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

Systemtic Name: N-(furan-2-ylmethyl)-5-(4-methylsulfonyl-2-nitro-phenyl)sulfanyl-1,3,4-thiadiazol-2-amine Openeye Name: N-(2-furylmethyl)-5-(4-methylsulfonyl-2-nitro-phenyl)sulfanyl-1,3,4-thiadiazol-2-amine CAS Name: N-(2-furanylmethyl)-5-[(4-methylsulfonyl-2-nitrophenyl)thio]-1,3,4-thiadiazol-2-amine IUPAC Name: N-(furan-2-ylmethyl)-5-(4-methylsulfonyl-2-nitrophenyl)sulfanyl-1,3,4-thiadiazol-2-amine Traditional Name: 2-furfuryl-[5-[(4-mesyl-2-nitro-phenyl)thio]-1,3,4-thiadiazol-2-yl]amine Formula: C14H12N4O5S3 MolecularWeight: 412.46388

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)SC2=NN=C(S2)NCC3=CC=CO3)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)SC2=NN=C(S2)NCC3=CC=CO3)[N+](=O)[O-]

InChI

InChI=1S/C14H12N4O5S3/c1-26(21,22)10-4-5-12(11(7-10)18(19)20)24-14-17-16-13(25-14)15-8-9-3-2-6-23-9/h2-7H,8H2,1H3,(H,15,16)