N-tert-butyl-4-[[4-methyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-3-nitro-benzenesulfonamide

Systemtic Name: N-tert-butyl-4-[[4-methyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-3-nitro-benzenesulfonamide Openeye Name: N-tert-butyl-4-[[4-methyl-5-(2-thienylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-3-nitro-benzenesulfonamide CAS Name: N-tert-butyl-4-[[4-methyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]thio]-3-nitrobenzenesulfonamide IUPAC Name: N-tert-butyl-4-[[4-methyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-3-nitrobenzenesulfonamide Traditional Name: N-tert-butyl-4-[[4-methyl-5-(2-thenyl)-1,2,4-triazol-3-yl]thio]-3-nitro-benzenesulfonamide Formula: C18H21N5O4S3 MolecularWeight: 467.58544

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NS(=O)(=O)C1=CC(=C(C=C1)SC2=NN=C(N2C)CC3=CC=CS3)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)NS(=O)(=O)C1=CC(=C(C=C1)SC2=NN=C(N2C)CC3=CC=CS3)[N+](=O)[O-]

InChI

InChI=1S/C18H21N5O4S3/c1-18(2,3)21-30(26,27)13-7-8-15(14(11-13)23(24)25)29-17-20-19-16(22(17)4)10-12-6-5-9-28-12/h5-9,11,21H,10H2,1-4H3