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

Systemtic Name: 1H-benzimidazol-2-yl-[4-(furan-2-ylmethyl)-5-(4-methylphenyl)-1,2,4-triazol-3-yl]methanethiol Openeye Name: 1H-benzimidazol-2-yl-[4-(2-furylmethyl)-5-(p-tolyl)-1,2,4-triazol-3-yl]methanethiol CAS Name: 1H-benzimidazol-2-yl-[4-(2-furanylmethyl)-5-(4-methylphenyl)-1,2,4-triazol-3-yl]methanethiol IUPAC Name: 1H-benzimidazol-2-yl-[4-(furan-2-ylmethyl)-5-(4-methylphenyl)-1,2,4-triazol-3-yl]methanethiol Traditional Name: 1H-benzimidazol-2-yl-[4-(2-furfuryl)-5-(p-tolyl)-1,2,4-triazol-3-yl]methanethiol Formula: C22H19N5OS MolecularWeight: 401.48416

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN=C(N2CC3=CC=CO3)C(C4=NC5=CC=CC=C5N4)S

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(N2CC3=CC=CO3)C(C4=NC5=CC=CC=C5N4)S

InChI

InChI=1S/C22H19N5OS/c1-14-8-10-15(11-9-14)21-25-26-22(27(21)13-16-5-4-12-28-16)19(29)20-23-17-6-2-3-7-18(17)24-20/h2-12,19,29H,13H2,1H3,(H,23,24)