2,3-dimethyl-5-[4-phenyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-yl]-1H-indole

Systemtic Name: 2,3-dimethyl-5-[4-phenyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-yl]-1H-indole Openeye Name: 5-(5-benzylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)-2,3-dimethyl-1H-indole CAS Name: 2,3-dimethyl-5-[4-phenyl-5-(phenylmethylthio)-1,2,4-triazol-3-yl]-1H-indole IUPAC Name: 5-(5-benzylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)-2,3-dimethyl-1H-indole Traditional Name: 5-[5-(benzylthio)-4-phenyl-1,2,4-triazol-3-yl]-2,3-dimethyl-1H-indole Formula: C25H22N4S MolecularWeight: 410.53398

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC2=C1C=C(C=C2)C3=NN=C(N3C4=CC=CC=C4)SCC5=CC=CC=C5)C

Isomeric SMILES

CC1=C(NC2=C1C=C(C=C2)C3=NN=C(N3C4=CC=CC=C4)SCC5=CC=CC=C5)C

InChI

InChI=1S/C25H22N4S/c1-17-18(2)26-23-14-13-20(15-22(17)23)24-27-28-25(29(24)21-11-7-4-8-12-21)30-16-19-9-5-3-6-10-19/h3-15,26H,16H2,1-2H3