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

Systemtic Name: 5-[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]sulfanyl-N-(furan-2-ylmethyl)-1,3,4-thiadiazol-2-amine Openeye Name: 5-[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]sulfanyl-N-(2-furylmethyl)-1,3,4-thiadiazol-2-amine CAS Name: 5-[[4-(1-azepanylsulfonyl)-2-nitrophenyl]thio]-N-(2-furanylmethyl)-1,3,4-thiadiazol-2-amine IUPAC Name: 5-[4-(azepan-1-ylsulfonyl)-2-nitrophenyl]sulfanyl-N-(furan-2-ylmethyl)-1,3,4-thiadiazol-2-amine Traditional Name: [5-[[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]thio]-1,3,4-thiadiazol-2-yl]-(2-furfuryl)amine Formula: C19H21N5O5S3 MolecularWeight: 495.59554

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)SC3=NN=C(S3)NCC4=CC=CO4)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)SC3=NN=C(S3)NCC4=CC=CO4)[N+](=O)[O-]

InChI

InChI=1S/C19H21N5O5S3/c25-24(26)16-12-15(32(27,28)23-9-3-1-2-4-10-23)7-8-17(16)30-19-22-21-18(31-19)20-13-14-6-5-11-29-14/h5-8,11-12H,1-4,9-10,13H2,(H,20,21)