N-[2-[[4-methyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]ethanoyl]-3-nitro-benzamide

Systemtic Name: N-[2-[[4-methyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]ethanoyl]-3-nitro-benzamide Openeye Name: N-[2-[[4-methyl-5-(2-methyl-3-furyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]-3-nitro-benzamide CAS Name: N-[2-[[4-methyl-5-(2-methyl-3-furanyl)-1,2,4-triazol-3-yl]thio]-1-oxoethyl]-3-nitrobenzamide IUPAC Name: N-[2-[[4-methyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]-3-nitrobenzamide Traditional Name: N-[2-[[4-methyl-5-(2-methyl-3-furyl)-1,2,4-triazol-3-yl]thio]acetyl]-3-nitro-benzamide Formula: C17H15N5O5S MolecularWeight: 401.3965

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CO1)C2=NN=C(N2C)SCC(=O)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CO1)C2=NN=C(N2C)SCC(=O)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H15N5O5S/c1-10-13(6-7-27-10)15-19-20-17(21(15)2)28-9-14(23)18-16(24)11-4-3-5-12(8-11)22(25)26/h3-8H,9H2,1-2H3,(H,18,23,24)