7-ethyl-6-isothiocyanato-4-methyl-1H-benzimidazole

Systemtic Name: 7-ethyl-6-isothiocyanato-4-methyl-1H-benzimidazole Openeye Name: 7-ethyl-6-isothiocyanato-4-methyl-1H-benzimidazole CAS Name: 7-ethyl-6-isothiocyanato-4-methyl-1H-benzimidazole IUPAC Name: 7-ethyl-6-isothiocyanato-4-methyl-1H-benzimidazole Traditional Name: 7-ethyl-6-isothiocyanato-4-methyl-1H-benzimidazole Formula: C11H11N3S MolecularWeight: 217.29014

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C2=C1NC=N2)C)N=C=S

Isomeric SMILES

CCC1=C(C=C(C2=C1NC=N2)C)N=C=S

InChI

InChI=1S/C11H11N3S/c1-3-8-9(14-6-15)4-7(2)10-11(8)13-5-12-10/h4-5H,3H2,1-2H3,(H,12,13)