1H-benzimidazol-2-yl-[4-(furan-2-ylmethyl)-5-phenyl-1,2,4-triazol-3-yl]methanethiol

Systemtic Name: 1H-benzimidazol-2-yl-[4-(furan-2-ylmethyl)-5-phenyl-1,2,4-triazol-3-yl]methanethiol Openeye Name: 1H-benzimidazol-2-yl-[4-(2-furylmethyl)-5-phenyl-1,2,4-triazol-3-yl]methanethiol CAS Name: 1H-benzimidazol-2-yl-[4-(2-furanylmethyl)-5-phenyl-1,2,4-triazol-3-yl]methanethiol IUPAC Name: 1H-benzimidazol-2-yl-[4-(furan-2-ylmethyl)-5-phenyl-1,2,4-triazol-3-yl]methanethiol Traditional Name: 1H-benzimidazol-2-yl-[4-(2-furfuryl)-5-phenyl-1,2,4-triazol-3-yl]methanethiol Formula: C21H17N5OS MolecularWeight: 387.45758

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN=C(N2CC3=CC=CO3)C(C4=NC5=CC=CC=C5N4)S

Isomeric SMILES

C1=CC=C(C=C1)C2=NN=C(N2CC3=CC=CO3)C(C4=NC5=CC=CC=C5N4)S

InChI

InChI=1S/C21H17N5OS/c28-18(19-22-16-10-4-5-11-17(16)23-19)21-25-24-20(14-7-2-1-3-8-14)26(21)13-15-9-6-12-27-15/h1-12,18,28H,13H2,(H,22,23)