3-[5-[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]propanamide

Systemtic Name: 3-[5-[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]propanamide Openeye Name: 3-[5-[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]propanamide CAS Name: 3-[5-[[4-(1-azepanylsulfonyl)-2-nitrophenyl]thio]-4-methyl-1,2,4-triazol-3-yl]propanamide IUPAC Name: 3-[5-[4-(azepan-1-ylsulfonyl)-2-nitrophenyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]propanamide Traditional Name: 3-[5-[[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]thio]-4-methyl-1,2,4-triazol-3-yl]propionamide Formula: C18H24N6O5S2 MolecularWeight: 468.55036

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SC2=C(C=C(C=C2)S(=O)(=O)N3CCCCCC3)[N+](=O)[O-])CCC(=O)N

Isomeric SMILES

CN1C(=NN=C1SC2=C(C=C(C=C2)S(=O)(=O)N3CCCCCC3)[N+](=O)[O-])CCC(=O)N

InChI

InChI=1S/C18H24N6O5S2/c1-22-17(9-8-16(19)25)20-21-18(22)30-15-7-6-13(12-14(15)24(26)27)31(28,29)23-10-4-2-3-5-11-23/h6-7,12H,2-5,8-11H2,1H3,(H2,19,25)