4-[[5-[(2-fluoranylphenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]-3-nitro-benzamide

Systemtic Name: 4-[[5-[(2-fluoranylphenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]-3-nitro-benzamide Openeye Name: 4-[[4-allyl-5-[(2-fluorophenoxy)methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]-3-nitro-benzamide CAS Name: 4-[[[5-[(2-fluorophenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]methyl]-3-nitrobenzamide IUPAC Name: 4-[[5-[(2-fluorophenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]-3-nitrobenzamide Traditional Name: 4-[[[4-allyl-5-[(2-fluorophenoxy)methyl]-1,2,4-triazol-3-yl]thio]methyl]-3-nitro-benzamide Formula: C20H18FN5O4S MolecularWeight: 443.451423

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-])COC3=CC=CC=C3F

Isomeric SMILES

C=CCN1C(=NN=C1SCC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-])COC3=CC=CC=C3F

InChI

InChI=1S/C20H18FN5O4S/c1-2-9-25-18(11-30-17-6-4-3-5-15(17)21)23-24-20(25)31-12-14-8-7-13(19(22)27)10-16(14)26(28)29/h2-8,10H,1,9,11-12H2,(H2,22,27)