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

Systemtic Name: 3-[[4-(2-chlorophenyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-4-methoxy-benzaldehyde Openeye Name: 3-[[4-(2-chlorophenyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-4-methoxy-benzaldehyde CAS Name: 3-[[[4-(2-chlorophenyl)-5-(1-pyrrolidinyl)-1,2,4-triazol-3-yl]thio]methyl]-4-methoxybenzaldehyde IUPAC Name: 3-[[4-(2-chlorophenyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-4-methoxybenzaldehyde Traditional Name: 3-[[[4-(2-chlorophenyl)-5-pyrrolidino-1,2,4-triazol-3-yl]thio]methyl]-4-methoxy-benzaldehyde Formula: C21H21ClN4O2S MolecularWeight: 428.93504

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=O)CSC2=NN=C(N2C3=CC=CC=C3Cl)N4CCCC4

Isomeric SMILES

COC1=C(C=C(C=C1)C=O)CSC2=NN=C(N2C3=CC=CC=C3Cl)N4CCCC4

InChI

InChI=1S/C21H21ClN4O2S/c1-28-19-9-8-15(13-27)12-16(19)14-29-21-24-23-20(25-10-4-5-11-25)26(21)18-7-3-2-6-17(18)22/h2-3,6-9,12-13H,4-5,10-11,14H2,1H3