2-[[5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-benzimidazole

Systemtic Name: 2-[[5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-benzimidazole Openeye Name: 2-[[4-allyl-5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-benzimidazole CAS Name: 2-[[[5-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]methyl]-1H-benzimidazole IUPAC Name: 2-[[5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-benzimidazole Traditional Name: 2-[[[4-allyl-5-[[(4,6-dimethylpyrimidin-2-yl)thio]methyl]-1,2,4-triazol-3-yl]thio]methyl]-1H-benzimidazole Formula: C20H21N7S2 MolecularWeight: 423.55764

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC2=NN=C(N2CC=C)SCC3=NC4=CC=CC=C4N3)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC2=NN=C(N2CC=C)SCC3=NC4=CC=CC=C4N3)C

InChI

InChI=1S/C20H21N7S2/c1-4-9-27-18(12-28-19-21-13(2)10-14(3)22-19)25-26-20(27)29-11-17-23-15-7-5-6-8-16(15)24-17/h4-8,10H,1,9,11-12H2,2-3H3,(H,23,24)