1H-benzimidazol-2-yl-[4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]methanethiol

Systemtic Name: 1H-benzimidazol-2-yl-[4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]methanethiol Openeye Name: 1H-benzimidazol-2-yl-[4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]methanethiol CAS Name: 1H-benzimidazol-2-yl-[4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]methanethiol IUPAC Name: 1H-benzimidazol-2-yl-[4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]methanethiol Traditional Name: 1H-benzimidazol-2-yl-[4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]methanethiol Formula: C19H19N5OS MolecularWeight: 365.45206

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1C(C2=NC3=CC=CC=C3N2)S)C4=CC=C(C=C4)OC

Isomeric SMILES

CCN1C(=NN=C1C(C2=NC3=CC=CC=C3N2)S)C4=CC=C(C=C4)OC

InChI

InChI=1S/C19H19N5OS/c1-3-24-18(12-8-10-13(25-2)11-9-12)22-23-19(24)16(26)17-20-14-6-4-5-7-15(14)21-17/h4-11,16,26H,3H2,1-2H3,(H,20,21)