1-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methyl]-1,2,4-triazole-3-carbonitrile

Systemtic Name: 1-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methyl]-1,2,4-triazole-3-carbonitrile Openeye Name: 1-[(5-pyrrolidin-1-ylsulfonyl-2-furyl)methyl]-1,2,4-triazole-3-carbonitrile CAS Name: 1-[[5-(1-pyrrolidinylsulfonyl)-2-furanyl]methyl]-1,2,4-triazole-3-carbonitrile IUPAC Name: 1-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methyl]-1,2,4-triazole-3-carbonitrile Traditional Name: 1-[(5-pyrrolidinosulfonyl-2-furyl)methyl]-1,2,4-triazole-3-carbonitrile Formula: C12H13N5O3S MolecularWeight: 307.32832

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(O2)CN3C=NC(=N3)C#N

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(O2)CN3C=NC(=N3)C#N

InChI

InChI=1S/C12H13N5O3S/c13-7-11-14-9-16(15-11)8-10-3-4-12(20-10)21(18,19)17-5-1-2-6-17/h3-4,9H,1-2,5-6,8H2