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

Systemtic Name: 5-[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]sulfanyl-N-(2-methoxyethyl)-1,3,4-thiadiazol-2-amine Openeye Name: 5-[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]sulfanyl-N-(2-methoxyethyl)-1,3,4-thiadiazol-2-amine CAS Name: 5-[[4-(1-azepanylsulfonyl)-2-nitrophenyl]thio]-N-(2-methoxyethyl)-1,3,4-thiadiazol-2-amine IUPAC Name: 5-[4-(azepan-1-ylsulfonyl)-2-nitrophenyl]sulfanyl-N-(2-methoxyethyl)-1,3,4-thiadiazol-2-amine Traditional Name: [5-[[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]thio]-1,3,4-thiadiazol-2-yl]-(2-methoxyethyl)amine Formula: C17H23N5O5S3 MolecularWeight: 473.59002

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC1=NN=C(S1)SC2=C(C=C(C=C2)S(=O)(=O)N3CCCCCC3)[N+](=O)[O-]

Isomeric SMILES

COCCNC1=NN=C(S1)SC2=C(C=C(C=C2)S(=O)(=O)N3CCCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C17H23N5O5S3/c1-27-11-8-18-16-19-20-17(29-16)28-15-7-6-13(12-14(15)22(23)24)30(25,26)21-9-4-2-3-5-10-21/h6-7,12H,2-5,8-11H2,1H3,(H,18,19)