4-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-nitro-N-propan-2-yl-benzenesulfonamide

Systemtic Name: 4-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-nitro-N-propan-2-yl-benzenesulfonamide Openeye Name: N-isopropyl-4-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-nitro-benzenesulfonamide CAS Name: 4-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]thio]-3-nitro-N-propan-2-ylbenzenesulfonamide IUPAC Name: 4-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-nitro-N-propan-2-ylbenzenesulfonamide Traditional Name: N-isopropyl-4-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]thio]-3-nitro-benzenesulfonamide Formula: C12H15N5O4S3 MolecularWeight: 389.4736

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NS(=O)(=O)C1=CC(=C(C=C1)SC2=NN=C(S2)NC)[N+](=O)[O-]

Isomeric SMILES

CC(C)NS(=O)(=O)C1=CC(=C(C=C1)SC2=NN=C(S2)NC)[N+](=O)[O-]

InChI

InChI=1S/C12H15N5O4S3/c1-7(2)16-24(20,21)8-4-5-10(9(6-8)17(18)19)22-12-15-14-11(13-3)23-12/h4-7,16H,1-3H3,(H,13,14)