5-[2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanoyl]-1,3-diethyl-benzimidazol-2-one

Systemtic Name: 5-[2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanoyl]-1,3-diethyl-benzimidazol-2-one Openeye Name: 5-[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]propanoyl]-1,3-diethyl-benzimidazol-2-one CAS Name: 5-[2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-1-oxopropyl]-1,3-diethyl-2-benzimidazolone IUPAC Name: 5-[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]propanoyl]-1,3-diethylbenzimidazol-2-one Traditional Name: 5-[2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]propanoyl]-1,3-diethyl-benzimidazol-2-one Formula: C16H20N6O2S MolecularWeight: 360.434

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)C(C)SC3=NNC(=N3)N)N(C1=O)CC

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)C(C)SC3=NNC(=N3)N)N(C1=O)CC

InChI

InChI=1S/C16H20N6O2S/c1-4-21-11-7-6-10(8-12(11)22(5-2)16(21)24)13(23)9(3)25-15-18-14(17)19-20-15/h6-9H,4-5H2,1-3H3,(H3,17,18,19,20)