2-[2-azanyl-4,5-dimethyl-1-(phenylmethyl)pyrrol-3-yl]sulfonylethanenitrile

Systemtic Name: 2-[2-azanyl-4,5-dimethyl-1-(phenylmethyl)pyrrol-3-yl]sulfonylethanenitrile Openeye Name: 2-(2-amino-1-benzyl-4,5-dimethyl-pyrrol-3-yl)sulfonylacetonitrile CAS Name: 2-[[2-amino-4,5-dimethyl-1-(phenylmethyl)-3-pyrrolyl]sulfonyl]acetonitrile IUPAC Name: 2-(2-amino-1-benzyl-4,5-dimethylpyrrol-3-yl)sulfonylacetonitrile Traditional Name: 2-(2-amino-1-benzyl-4,5-dimethyl-pyrrol-3-yl)sulfonylacetonitrile Formula: C15H17N3O2S MolecularWeight: 303.37938

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1S(=O)(=O)CC#N)N)CC2=CC=CC=C2)C

Isomeric SMILES

CC1=C(N(C(=C1S(=O)(=O)CC#N)N)CC2=CC=CC=C2)C

InChI

InChI=1S/C15H17N3O2S/c1-11-12(2)18(10-13-6-4-3-5-7-13)15(17)14(11)21(19,20)9-8-16/h3-7H,9-10,17H2,1-2H3