4-ethyl-3-(2-methylfuran-3-yl)-5-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)sulfanyl-1,2,4-triazole

Systemtic Name: 4-ethyl-3-(2-methylfuran-3-yl)-5-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)sulfanyl-1,2,4-triazole Openeye Name: 4-ethyl-3-(2-methyl-3-furyl)-5-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)sulfanyl-1,2,4-triazole CAS Name: 4-ethyl-3-(2-methyl-3-furanyl)-5-[[2-nitro-4-(1-pyrrolidinylsulfonyl)phenyl]thio]-1,2,4-triazole IUPAC Name: 4-ethyl-3-(2-methylfuran-3-yl)-5-(2-nitro-4-pyrrolidin-1-ylsulfonylphenyl)sulfanyl-1,2,4-triazole Traditional Name: 4-ethyl-3-(2-methyl-3-furyl)-5-[(2-nitro-4-pyrrolidinosulfonyl-phenyl)thio]-1,2,4-triazole Formula: C19H21N5O5S2 MolecularWeight: 463.53054

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-])C4=C(OC=C4)C

Isomeric SMILES

CCN1C(=NN=C1SC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-])C4=C(OC=C4)C

InChI

InChI=1S/C19H21N5O5S2/c1-3-23-18(15-8-11-29-13(15)2)20-21-19(23)30-17-7-6-14(12-16(17)24(25)26)31(27,28)22-9-4-5-10-22/h6-8,11-12H,3-5,9-10H2,1-2H3