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

Systemtic Name: 6-nitro-2-[(4-prop-2-enyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-benzimidazole Openeye Name: 2-[[4-allyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-6-nitro-1H-benzimidazole CAS Name: 6-nitro-2-[[[4-prop-2-enyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]methyl]-1H-benzimidazole IUPAC Name: 6-nitro-2-[(4-prop-2-enyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-benzimidazole Traditional Name: 2-[[[4-allyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]methyl]-6-nitro-1H-benzimidazole Formula: C18H15N7O2S MolecularWeight: 393.4224

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC2=NC3=C(N2)C=C(C=C3)[N+](=O)[O-])C4=CN=CC=C4

Isomeric SMILES

C=CCN1C(=NN=C1SCC2=NC3=C(N2)C=C(C=C3)[N+](=O)[O-])C4=CN=CC=C4

InChI

InChI=1S/C18H15N7O2S/c1-2-8-24-17(12-4-3-7-19-10-12)22-23-18(24)28-11-16-20-14-6-5-13(25(26)27)9-15(14)21-16/h2-7,9-10H,1,8,11H2,(H,20,21)