N-cyclopropyl-N-(furan-2-ylmethyl)-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-benzamide

Systemtic Name: N-cyclopropyl-N-(furan-2-ylmethyl)-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-benzamide Openeye Name: N-cyclopropyl-N-(2-furylmethyl)-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-benzamide CAS Name: N-cyclopropyl-N-(2-furanylmethyl)-4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitrobenzamide IUPAC Name: N-cyclopropyl-N-(furan-2-ylmethyl)-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitrobenzamide Traditional Name: N-cyclopropyl-N-(2-furfuryl)-4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitro-benzamide Formula: C18H17N5O4S MolecularWeight: 399.42368

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN=C1SC2=C(C=C(C=C2)C(=O)N(CC3=CC=CO3)C4CC4)[N+](=O)[O-]

Isomeric SMILES

CN1C=NN=C1SC2=C(C=C(C=C2)C(=O)N(CC3=CC=CO3)C4CC4)[N+](=O)[O-]

InChI

InChI=1S/C18H17N5O4S/c1-21-11-19-20-18(21)28-16-7-4-12(9-15(16)23(25)26)17(24)22(13-5-6-13)10-14-3-2-8-27-14/h2-4,7-9,11,13H,5-6,10H2,1H3