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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N5O4S3/c1-3-22(4-2)31(27,28)14-9-10-16(15(12-14)24(25)26)30-19-21-20-18(17-6-5-11-29-17)23(19)13-7-8-13/h5-6,9-13H,3-4,7-8H2,1-2H3