3-[3-[[5-methyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propyl]-1H-benzimidazol-2-one

Systemtic Name: 3-[3-[[5-methyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propyl]-1H-benzimidazol-2-one Openeye Name: 3-[3-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]propyl]-1H-benzimidazol-2-one CAS Name: 3-[3-[[5-methyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]propyl]-1H-benzimidazol-2-one IUPAC Name: 3-[3-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]propyl]-1H-benzimidazol-2-one Traditional Name: 3-[3-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)thio]propyl]-1H-benzimidazol-2-one Formula: C20H21N5OS MolecularWeight: 379.47864

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1CC2=CC=CC=C2)SCCCN3C4=CC=CC=C4NC3=O

Isomeric SMILES

CC1=NN=C(N1CC2=CC=CC=C2)SCCCN3C4=CC=CC=C4NC3=O

InChI

InChI=1S/C20H21N5OS/c1-15-22-23-20(25(15)14-16-8-3-2-4-9-16)27-13-7-12-24-18-11-6-5-10-17(18)21-19(24)26/h2-6,8-11H,7,12-14H2,1H3,(H,21,26)