1-[(5-butan-2-ylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)methyl]-2-methyl-benzimidazole

Systemtic Name: 1-[(5-butan-2-ylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)methyl]-2-methyl-benzimidazole Openeye Name: 2-methyl-1-[(4-phenyl-5-sec-butylsulfanyl-1,2,4-triazol-3-yl)methyl]benzimidazole CAS Name: 1-[[5-(butan-2-ylthio)-4-phenyl-1,2,4-triazol-3-yl]methyl]-2-methylbenzimidazole IUPAC Name: 1-[(5-butan-2-ylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)methyl]-2-methylbenzimidazole Traditional Name: 2-methyl-1-[[4-phenyl-5-(sec-butylthio)-1,2,4-triazol-3-yl]methyl]benzimidazole Formula: C21H23N5S MolecularWeight: 377.50582

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)SC1=NN=C(N1C2=CC=CC=C2)CN3C(=NC4=CC=CC=C43)C

Isomeric SMILES

CCC(C)SC1=NN=C(N1C2=CC=CC=C2)CN3C(=NC4=CC=CC=C43)C

InChI

InChI=1S/C21H23N5S/c1-4-15(2)27-21-24-23-20(26(21)17-10-6-5-7-11-17)14-25-16(3)22-18-12-8-9-13-19(18)25/h5-13,15H,4,14H2,1-3H3