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

Systemtic Name: 2-[(4-prop-2-enyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-benzimidazole Openeye Name: 2-[(4-allyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-benzimidazole CAS Name: 2-[[[4-prop-2-enyl-5-(2-pyrazinyl)-1,2,4-triazol-3-yl]thio]methyl]-1H-benzimidazole IUPAC Name: 2-[(4-prop-2-enyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-benzimidazole Traditional Name: 2-[[(4-allyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)thio]methyl]-1H-benzimidazole Formula: C17H15N7S MolecularWeight: 349.4129

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC2=NC3=CC=CC=C3N2)C4=NC=CN=C4

Isomeric SMILES

C=CCN1C(=NN=C1SCC2=NC3=CC=CC=C3N2)C4=NC=CN=C4

InChI

InChI=1S/C17H15N7S/c1-2-9-24-16(14-10-18-7-8-19-14)22-23-17(24)25-11-15-20-12-5-3-4-6-13(12)21-15/h2-8,10H,1,9,11H2,(H,20,21)