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

Systemtic Name: 2-[[5-(4-bromophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]-6-nitro-1H-benzimidazole Openeye Name: 2-[[4-allyl-5-(4-bromophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-6-nitro-1H-benzimidazole CAS Name: 2-[[[5-(4-bromophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]methyl]-6-nitro-1H-benzimidazole IUPAC Name: 2-[[5-(4-bromophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]-6-nitro-1H-benzimidazole Traditional Name: 2-[[[4-allyl-5-(4-bromophenyl)-1,2,4-triazol-3-yl]thio]methyl]-6-nitro-1H-benzimidazole Formula: C19H15BrN6O2S MolecularWeight: 471.3304

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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=CC=C(C=C4)Br

Isomeric SMILES

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

InChI

InChI=1S/C19H15BrN6O2S/c1-2-9-25-18(12-3-5-13(20)6-4-12)23-24-19(25)29-11-17-21-15-8-7-14(26(27)28)10-16(15)22-17/h2-8,10H,1,9,11H2,(H,21,22)