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

Systemtic Name: 3-[3-[[5-oxidanylidene-4-(phenylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propyl]-1H-benzimidazol-2-one Openeye Name: 3-[3-[(4-benzyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]propyl]-1H-benzimidazol-2-one CAS Name: 3-[3-[[5-oxo-4-(phenylmethyl)-1H-1,2,4-triazol-3-yl]thio]propyl]-1H-benzimidazol-2-one IUPAC Name: 3-[3-[(4-benzyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]propyl]-1H-benzimidazol-2-one Traditional Name: 3-[3-[(4-benzyl-5-keto-1H-1,2,4-triazol-3-yl)thio]propyl]-1H-benzimidazol-2-one Formula: C19H19N5O2S MolecularWeight: 381.45146

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=O)NN=C2SCCCN3C4=CC=CC=C4NC3=O

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=O)NN=C2SCCCN3C4=CC=CC=C4NC3=O

InChI

InChI=1S/C19H19N5O2S/c25-17-20-15-9-4-5-10-16(15)23(17)11-6-12-27-19-22-21-18(26)24(19)13-14-7-2-1-3-8-14/h1-5,7-10H,6,11-13H2,(H,20,25)(H,21,26)