3-[5-[2-(2-chloranylphenoxy)ethylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]-1-ethyl-indole

Systemtic Name: 3-[5-[2-(2-chloranylphenoxy)ethylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]-1-ethyl-indole Openeye Name: 3-[5-[2-(2-chlorophenoxy)ethylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]-1-ethyl-indole CAS Name: 3-[5-[2-(2-chlorophenoxy)ethylthio]-4-methyl-1,2,4-triazol-3-yl]-1-ethylindole IUPAC Name: 3-[5-[2-(2-chlorophenoxy)ethylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]-1-ethylindole Traditional Name: 3-[5-[2-(2-chlorophenoxy)ethylthio]-4-methyl-1,2,4-triazol-3-yl]-1-ethyl-indole Formula: C21H21ClN4OS MolecularWeight: 412.93564

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C2=CC=CC=C21)C3=NN=C(N3C)SCCOC4=CC=CC=C4Cl

Isomeric SMILES

CCN1C=C(C2=CC=CC=C21)C3=NN=C(N3C)SCCOC4=CC=CC=C4Cl

InChI

InChI=1S/C21H21ClN4OS/c1-3-26-14-16(15-8-4-6-10-18(15)26)20-23-24-21(25(20)2)28-13-12-27-19-11-7-5-9-17(19)22/h4-11,14H,3,12-13H2,1-2H3