3-[4-(benzotriazol-1-ylcarbonyl)-3-thiophen-2-yl-pyrazol-1-yl]propanenitrile

Systemtic Name: 3-[4-(benzotriazol-1-ylcarbonyl)-3-thiophen-2-yl-pyrazol-1-yl]propanenitrile Openeye Name: 3-[4-(benzotriazole-1-carbonyl)-3-(2-thienyl)pyrazol-1-yl]propanenitrile CAS Name: 3-[4-[1-benzotriazolyl(oxo)methyl]-3-thiophen-2-yl-1-pyrazolyl]propanenitrile IUPAC Name: 3-[4-(benzotriazole-1-carbonyl)-3-thiophen-2-ylpyrazol-1-yl]propanenitrile Traditional Name: 3-[4-(benzotriazole-1-carbonyl)-3-(2-thienyl)pyrazol-1-yl]propionitrile Formula: C17H12N6OS MolecularWeight: 348.38178

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=NN2C(=O)C3=CN(N=C3C4=CC=CS4)CCC#N

Isomeric SMILES

C1=CC=C2C(=C1)N=NN2C(=O)C3=CN(N=C3C4=CC=CS4)CCC#N

InChI

InChI=1S/C17H12N6OS/c18-8-4-9-22-11-12(16(20-22)15-7-3-10-25-15)17(24)23-14-6-2-1-5-13(14)19-21-23/h1-3,5-7,10-11H,4,9H2