4-methyl-3-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)sulfanyl-5-(thiophen-2-ylmethyl)-1,2,4-triazole

Systemtic Name: 4-methyl-3-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)sulfanyl-5-(thiophen-2-ylmethyl)-1,2,4-triazole Openeye Name: 4-methyl-3-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)sulfanyl-5-(2-thienylmethyl)-1,2,4-triazole CAS Name: 4-methyl-3-[[2-nitro-4-(1-pyrrolidinylsulfonyl)phenyl]thio]-5-(thiophen-2-ylmethyl)-1,2,4-triazole IUPAC Name: 4-methyl-3-(2-nitro-4-pyrrolidin-1-ylsulfonylphenyl)sulfanyl-5-(thiophen-2-ylmethyl)-1,2,4-triazole Traditional Name: 4-methyl-3-[(2-nitro-4-pyrrolidinosulfonyl-phenyl)thio]-5-(2-thenyl)-1,2,4-triazole Formula: C18H19N5O4S3 MolecularWeight: 465.56956

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-])CC4=CC=CS4

Isomeric SMILES

CN1C(=NN=C1SC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-])CC4=CC=CS4

InChI

InChI=1S/C18H19N5O4S3/c1-21-17(11-13-5-4-10-28-13)19-20-18(21)29-16-7-6-14(12-15(16)23(24)25)30(26,27)22-8-2-3-9-22/h4-7,10,12H,2-3,8-9,11H2,1H3