3-[[4-(3-chloranyl-4-methyl-phenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-4-methoxy-benzaldehyde

Systemtic Name: 3-[[4-(3-chloranyl-4-methyl-phenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-4-methoxy-benzaldehyde Openeye Name: 3-[[4-(3-chloro-4-methyl-phenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-4-methoxy-benzaldehyde CAS Name: 3-[[[4-(3-chloro-4-methylphenyl)-1,2,4-triazol-3-yl]thio]methyl]-4-methoxybenzaldehyde IUPAC Name: 3-[[4-(3-chloro-4-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-4-methoxybenzaldehyde Traditional Name: 3-[[[4-(3-chloro-4-methyl-phenyl)-1,2,4-triazol-3-yl]thio]methyl]-4-methoxy-benzaldehyde Formula: C18H16ClN3O2S MolecularWeight: 373.85654

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C=NN=C2SCC3=C(C=CC(=C3)C=O)OC)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)N2C=NN=C2SCC3=C(C=CC(=C3)C=O)OC)Cl

InChI

InChI=1S/C18H16ClN3O2S/c1-12-3-5-15(8-16(12)19)22-11-20-21-18(22)25-10-14-7-13(9-23)4-6-17(14)24-2/h3-9,11H,10H2,1-2H3