4-[[5-(2-azanylethyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfonylmethyl]benzenecarbonitrile

Systemtic Name: 4-[[5-(2-azanylethyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfonylmethyl]benzenecarbonitrile Openeye Name: 4-[[5-(2-aminoethyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfonylmethyl]benzonitrile CAS Name: 4-[[5-(2-aminoethyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfonylmethyl]benzonitrile IUPAC Name: 4-[[5-(2-aminoethyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfonylmethyl]benzonitrile Traditional Name: 4-[[5-(2-aminoethyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfonylmethyl]benzonitrile Formula: C20H21N5O2S MolecularWeight: 395.47804

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C(=NN=C2S(=O)(=O)CC3=CC=C(C=C3)C#N)CCN

Isomeric SMILES

C1=CC=C(C=C1)CCN2C(=NN=C2S(=O)(=O)CC3=CC=C(C=C3)C#N)CCN

InChI

InChI=1S/C20H21N5O2S/c21-12-10-19-23-24-20(25(19)13-11-16-4-2-1-3-5-16)28(26,27)15-18-8-6-17(14-22)7-9-18/h1-9H,10-13,15,21H2