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

Systemtic Name: N-tert-butyl-4-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-benzenesulfonamide Openeye Name: N-tert-butyl-4-[[4-cyclopropyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]-3-nitro-benzenesulfonamide CAS Name: N-tert-butyl-4-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]-3-nitrobenzenesulfonamide IUPAC Name: N-tert-butyl-4-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-3-nitrobenzenesulfonamide Traditional Name: N-tert-butyl-4-[[4-cyclopropyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]-3-nitro-benzenesulfonamide Formula: C19H21N5O4S3 MolecularWeight: 479.59614

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NS(=O)(=O)C1=CC(=C(C=C1)SC2=NN=C(N2C3CC3)C4=CC=CS4)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)NS(=O)(=O)C1=CC(=C(C=C1)SC2=NN=C(N2C3CC3)C4=CC=CS4)[N+](=O)[O-]

InChI

InChI=1S/C19H21N5O4S3/c1-19(2,3)22-31(27,28)13-8-9-15(14(11-13)24(25)26)30-18-21-20-17(16-5-4-10-29-16)23(18)12-6-7-12/h4-5,8-12,22H,6-7H2,1-3H3