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

Systemtic Name: 5-[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]sulfanyl-N-methyl-1,3,4-thiadiazol-2-amine Openeye Name: 5-[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]sulfanyl-N-methyl-1,3,4-thiadiazol-2-amine CAS Name: 5-[[4-(1-azepanylsulfonyl)-2-nitrophenyl]thio]-N-methyl-1,3,4-thiadiazol-2-amine IUPAC Name: 5-[4-(azepan-1-ylsulfonyl)-2-nitrophenyl]sulfanyl-N-methyl-1,3,4-thiadiazol-2-amine Traditional Name: [5-[[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]thio]-1,3,4-thiadiazol-2-yl]-methyl-amine Formula: C15H19N5O4S3 MolecularWeight: 429.53746

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=NN=C(S1)SC2=C(C=C(C=C2)S(=O)(=O)N3CCCCCC3)[N+](=O)[O-]

Isomeric SMILES

CNC1=NN=C(S1)SC2=C(C=C(C=C2)S(=O)(=O)N3CCCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C15H19N5O4S3/c1-16-14-17-18-15(26-14)25-13-7-6-11(10-12(13)20(21)22)27(23,24)19-8-4-2-3-5-9-19/h6-7,10H,2-5,8-9H2,1H3,(H,16,17)