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

Systemtic Name: 4-[[5-(2-azanylethyl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfonylmethyl]benzenecarbonitrile Openeye Name: 4-[[5-(2-aminoethyl)-4-benzyl-1,2,4-triazol-3-yl]sulfonylmethyl]benzonitrile CAS Name: 4-[[5-(2-aminoethyl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfonylmethyl]benzonitrile IUPAC Name: 4-[[5-(2-aminoethyl)-4-benzyl-1,2,4-triazol-3-yl]sulfonylmethyl]benzonitrile Traditional Name: 4-[[5-(2-aminoethyl)-4-benzyl-1,2,4-triazol-3-yl]sulfonylmethyl]benzonitrile Formula: C19H19N5O2S MolecularWeight: 381.45146

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=NN=C2S(=O)(=O)CC3=CC=C(C=C3)C#N)CCN

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=NN=C2S(=O)(=O)CC3=CC=C(C=C3)C#N)CCN

InChI

InChI=1S/C19H19N5O2S/c20-11-10-18-22-23-19(24(18)13-16-4-2-1-3-5-16)27(25,26)14-17-8-6-15(12-21)7-9-17/h1-9H,10-11,13-14,20H2