3-[[5-(furan-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]-4-methoxy-benzaldehyde

Systemtic Name: 3-[[5-(furan-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]-4-methoxy-benzaldehyde Openeye Name: 3-[[4-allyl-5-(2-furyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-4-methoxy-benzaldehyde CAS Name: 3-[[[5-(2-furanyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]methyl]-4-methoxybenzaldehyde IUPAC Name: 3-[[5-(furan-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]-4-methoxybenzaldehyde Traditional Name: 3-[[[4-allyl-5-(2-furyl)-1,2,4-triazol-3-yl]thio]methyl]-4-methoxy-benzaldehyde Formula: C18H17N3O3S MolecularWeight: 355.41088

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=O)CSC2=NN=C(N2CC=C)C3=CC=CO3

Isomeric SMILES

COC1=C(C=C(C=C1)C=O)CSC2=NN=C(N2CC=C)C3=CC=CO3

InChI

InChI=1S/C18H17N3O3S/c1-3-8-21-17(16-5-4-9-24-16)19-20-18(21)25-12-14-10-13(11-22)6-7-15(14)23-2/h3-7,9-11H,1,8,12H2,2H3