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

Systemtic Name: N,N-diethyl-4-[[4-methyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-3-nitro-benzenesulfonamide Openeye Name: N,N-diethyl-4-[[4-methyl-5-(2-thienylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-3-nitro-benzenesulfonamide CAS Name: N,N-diethyl-4-[[4-methyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]thio]-3-nitrobenzenesulfonamide IUPAC Name: N,N-diethyl-4-[[4-methyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-3-nitrobenzenesulfonamide Traditional Name: N,N-diethyl-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:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N5O4S3/c1-4-22(5-2)30(26,27)14-8-9-16(15(12-14)23(24)25)29-18-20-19-17(21(18)3)11-13-7-6-10-28-13/h6-10,12H,4-5,11H2,1-3H3