(E)-3-azanyl-2-[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethanoyl]but-2-enenitrile

Systemtic Name: (E)-3-azanyl-2-[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethanoyl]but-2-enenitrile Openeye Name: (E)-3-amino-2-[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetyl]but-2-enenitrile CAS Name: (E)-3-amino-2-[2-[(6-methyl-1H-benzimidazol-2-yl)thio]-1-oxoethyl]-2-butenenitrile IUPAC Name: (E)-3-amino-2-[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetyl]but-2-enenitrile Traditional Name: (E)-3-amino-2-[2-[(6-methyl-1H-benzimidazol-2-yl)thio]acetyl]but-2-enenitrile Formula: C14H14N4OS MolecularWeight: 286.35216

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(N2)SCC(=O)C(=C(C)N)C#N

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(N2)SCC(=O)/C(=C(\C)/N)/C#N

InChI

InChI=1S/C14H14N4OS/c1-8-3-4-11-12(5-8)18-14(17-11)20-7-13(19)10(6-15)9(2)16/h3-5H,7,16H2,1-2H3,(H,17,18)/b10-9+