3-methoxy-4-[2-[[5-methyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethoxy]benzaldehyde

Systemtic Name: 3-methoxy-4-[2-[[5-methyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethoxy]benzaldehyde Openeye Name: 4-[2-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]ethoxy]-3-methoxy-benzaldehyde CAS Name: 3-methoxy-4-[2-[[5-methyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]ethoxy]benzaldehyde IUPAC Name: 4-[2-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]ethoxy]-3-methoxybenzaldehyde Traditional Name: 4-[2-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)thio]ethoxy]-3-methoxy-benzaldehyde Formula: C20H21N3O3S MolecularWeight: 383.46404

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1CC2=CC=CC=C2)SCCOC3=C(C=C(C=C3)C=O)OC

Isomeric SMILES

CC1=NN=C(N1CC2=CC=CC=C2)SCCOC3=C(C=C(C=C3)C=O)OC

InChI

InChI=1S/C20H21N3O3S/c1-15-21-22-20(23(15)13-16-6-4-3-5-7-16)27-11-10-26-18-9-8-17(14-24)12-19(18)25-2/h3-9,12,14H,10-11,13H2,1-2H3