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

Systemtic Name: 3-[3-[[4-azanyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]propyl]-1H-benzimidazol-2-one Openeye Name: 3-[3-[[4-amino-5-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]propyl]-1H-benzimidazol-2-one CAS Name: 3-[3-[[4-amino-5-(4-methylphenyl)-1,2,4-triazol-3-yl]thio]propyl]-1H-benzimidazol-2-one IUPAC Name: 3-[3-[[4-amino-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]propyl]-1H-benzimidazol-2-one Traditional Name: 3-[3-[[4-amino-5-(p-tolyl)-1,2,4-triazol-3-yl]thio]propyl]-1H-benzimidazol-2-one Formula: C19H20N6OS MolecularWeight: 380.4667

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN=C(N2N)SCCCN3C4=CC=CC=C4NC3=O

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(N2N)SCCCN3C4=CC=CC=C4NC3=O

InChI

InChI=1S/C19H20N6OS/c1-13-7-9-14(10-8-13)17-22-23-19(25(17)20)27-12-4-11-24-16-6-3-2-5-15(16)21-18(24)26/h2-3,5-10H,4,11-12,20H2,1H3,(H,21,26)