2-[6-chloranyl-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzimidazol-1-yl]ethanol

Systemtic Name: 2-[6-chloranyl-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzimidazol-1-yl]ethanol Openeye Name: 2-[2-[(4-allyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-6-chloro-benzimidazol-1-yl]ethanol CAS Name: 2-[6-chloro-2-[[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]methyl]-1-benzimidazolyl]ethanol IUPAC Name: 2-[6-chloro-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzimidazol-1-yl]ethanol Traditional Name: 2-[2-[[(4-allyl-5-phenyl-1,2,4-triazol-3-yl)thio]methyl]-6-chloro-benzimidazol-1-yl]ethanol Formula: C21H20ClN5OS MolecularWeight: 425.9344

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC2=NC3=C(N2CCO)C=C(C=C3)Cl)C4=CC=CC=C4

Isomeric SMILES

C=CCN1C(=NN=C1SCC2=NC3=C(N2CCO)C=C(C=C3)Cl)C4=CC=CC=C4

InChI

InChI=1S/C21H20ClN5OS/c1-2-10-27-20(15-6-4-3-5-7-15)24-25-21(27)29-14-19-23-17-9-8-16(22)13-18(17)26(19)11-12-28/h2-9,13,28H,1,10-12,14H2