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

Systemtic Name: 5-[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]sulfanyl-N-propan-2-yl-1,3,4-thiadiazol-2-amine Openeye Name: 5-[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]sulfanyl-N-isopropyl-1,3,4-thiadiazol-2-amine CAS Name: 5-[[4-(1-azepanylsulfonyl)-2-nitrophenyl]thio]-N-propan-2-yl-1,3,4-thiadiazol-2-amine IUPAC Name: 5-[4-(azepan-1-ylsulfonyl)-2-nitrophenyl]sulfanyl-N-propan-2-yl-1,3,4-thiadiazol-2-amine Traditional Name: [5-[[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]thio]-1,3,4-thiadiazol-2-yl]-isopropyl-amine Formula: C17H23N5O4S3 MolecularWeight: 457.59062

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC1=NN=C(S1)SC2=C(C=C(C=C2)S(=O)(=O)N3CCCCCC3)[N+](=O)[O-]

Isomeric SMILES

CC(C)NC1=NN=C(S1)SC2=C(C=C(C=C2)S(=O)(=O)N3CCCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C17H23N5O4S3/c1-12(2)18-16-19-20-17(28-16)27-15-8-7-13(11-14(15)22(23)24)29(25,26)21-9-5-3-4-6-10-21/h7-8,11-12H,3-6,9-10H2,1-2H3,(H,18,19)