3-[5-[3-cyano-3-(1,3-dimethylbenzimidazol-2-ylidene)-2-oxidanylidene-propyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]propanamide

Systemtic Name: 3-[5-[3-cyano-3-(1,3-dimethylbenzimidazol-2-ylidene)-2-oxidanylidene-propyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]propanamide Openeye Name: 3-[5-[3-cyano-3-(1,3-dimethylbenzimidazol-2-ylidene)-2-oxo-propyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]propanamide CAS Name: 3-[5-[[3-cyano-3-(1,3-dimethyl-2-benzimidazolylidene)-2-oxopropyl]thio]-4-methyl-1,2,4-triazol-3-yl]propanamide IUPAC Name: 3-[5-[3-cyano-3-(1,3-dimethylbenzimidazol-2-ylidene)-2-oxopropyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]propanamide Traditional Name: 3-[5-[[3-cyano-3-(1,3-dimethylbenzimidazol-2-ylidene)-2-keto-propyl]thio]-4-methyl-1,2,4-triazol-3-yl]propionamide Formula: C19H21N7O2S MolecularWeight: 411.48074

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N(C1=C(C#N)C(=O)CSC3=NN=C(N3C)CCC(=O)N)C

Isomeric SMILES

CN1C2=CC=CC=C2N(C1=C(C#N)C(=O)CSC3=NN=C(N3C)CCC(=O)N)C

InChI

InChI=1S/C19H21N7O2S/c1-24-13-6-4-5-7-14(13)25(2)18(24)12(10-20)15(27)11-29-19-23-22-17(26(19)3)9-8-16(21)28/h4-7H,8-9,11H2,1-3H3,(H2,21,28)