1-[4-(3-butan-2-yl-4-phenylmethoxy-phenyl)-1,3-thiazol-2-yl]pyrrole-2-carbaldehyde

Systemtic Name: 1-[4-(3-butan-2-yl-4-phenylmethoxy-phenyl)-1,3-thiazol-2-yl]pyrrole-2-carbaldehyde Openeye Name: 1-[4-(4-benzyloxy-3-sec-butyl-phenyl)thiazol-2-yl]pyrrole-2-carbaldehyde CAS Name: 1-[4-(3-butan-2-yl-4-phenylmethoxyphenyl)-2-thiazolyl]-2-pyrrolecarboxaldehyde IUPAC Name: 1-[4-(3-butan-2-yl-4-phenylmethoxyphenyl)-1,3-thiazol-2-yl]pyrrole-2-carbaldehyde Traditional Name: 1-[4-(4-benzoxy-3-sec-butyl-phenyl)thiazol-2-yl]pyrrole-2-carbaldehyde Formula: C25H24N2O2S MolecularWeight: 416.53526

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=C(C=CC(=C1)C2=CSC(=N2)N3C=CC=C3C=O)OCC4=CC=CC=C4

Isomeric SMILES

CCC(C)C1=C(C=CC(=C1)C2=CSC(=N2)N3C=CC=C3C=O)OCC4=CC=CC=C4

InChI

InChI=1S/C25H24N2O2S/c1-3-18(2)22-14-20(11-12-24(22)29-16-19-8-5-4-6-9-19)23-17-30-25(26-23)27-13-7-10-21(27)15-28/h4-15,17-18H,3,16H2,1-2H3