3-nitro-4-[[4-(oxolan-2-ylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]benzamide

Systemtic Name: 3-nitro-4-[[4-(oxolan-2-ylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]benzamide Openeye Name: 3-nitro-4-[[4-(tetrahydrofuran-2-ylmethyl)-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]benzamide CAS Name: 3-nitro-4-[[4-(2-oxolanylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]thio]benzamide IUPAC Name: 3-nitro-4-[[4-(oxolan-2-ylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]benzamide Traditional Name: 3-nitro-4-[[4-(tetrahydrofurfuryl)-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]benzamide Formula: C18H17N5O4S2 MolecularWeight: 431.48868

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CN2C(=NN=C2SC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-])C4=CC=CS4

Isomeric SMILES

C1CC(OC1)CN2C(=NN=C2SC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-])C4=CC=CS4

InChI

InChI=1S/C18H17N5O4S2/c19-16(24)11-5-6-14(13(9-11)23(25)26)29-18-21-20-17(15-4-2-8-28-15)22(18)10-12-3-1-7-27-12/h2,4-6,8-9,12H,1,3,7,10H2,(H2,19,24)