3-[[4-cyclopropyl-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-4-methoxy-benzaldehyde

Systemtic Name: 3-[[4-cyclopropyl-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-4-methoxy-benzaldehyde Openeye Name: 3-[[4-cyclopropyl-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-4-methoxy-benzaldehyde CAS Name: 3-[[[4-cyclopropyl-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]thio]methyl]-4-methoxybenzaldehyde IUPAC Name: 3-[[4-cyclopropyl-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-4-methoxybenzaldehyde Traditional Name: 3-[[[4-cyclopropyl-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]thio]methyl]-4-methoxy-benzaldehyde Formula: C20H18FN3O2S MolecularWeight: 383.439223

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=O)CSC2=NN=C(N2C3CC3)C4=CC=CC=C4F

Isomeric SMILES

COC1=C(C=C(C=C1)C=O)CSC2=NN=C(N2C3CC3)C4=CC=CC=C4F

InChI

InChI=1S/C20H18FN3O2S/c1-26-18-9-6-13(11-25)10-14(18)12-27-20-23-22-19(24(20)15-7-8-15)16-4-2-3-5-17(16)21/h2-6,9-11,15H,7-8,12H2,1H3