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

Systemtic Name: 3-[[5-(2-azanylethyl)-4-(4-phenylmethoxyphenyl)-1,2,4-triazol-3-yl]sulfonylmethyl]benzenecarbonitrile Openeye Name: 3-[[5-(2-aminoethyl)-4-(4-benzyloxyphenyl)-1,2,4-triazol-3-yl]sulfonylmethyl]benzonitrile CAS Name: 3-[[5-(2-aminoethyl)-4-(4-phenylmethoxyphenyl)-1,2,4-triazol-3-yl]sulfonylmethyl]benzonitrile IUPAC Name: 3-[[5-(2-aminoethyl)-4-(4-phenylmethoxyphenyl)-1,2,4-triazol-3-yl]sulfonylmethyl]benzonitrile Traditional Name: 3-[[5-(2-aminoethyl)-4-(4-benzoxyphenyl)-1,2,4-triazol-3-yl]sulfonylmethyl]benzonitrile Formula: C25H23N5O3S MolecularWeight: 473.54682

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=C(C=C2)N3C(=NN=C3S(=O)(=O)CC4=CC=CC(=C4)C#N)CCN

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=C(C=C2)N3C(=NN=C3S(=O)(=O)CC4=CC=CC(=C4)C#N)CCN

InChI

InChI=1S/C25H23N5O3S/c26-14-13-24-28-29-25(34(31,32)18-21-8-4-7-20(15-21)16-27)30(24)22-9-11-23(12-10-22)33-17-19-5-2-1-3-6-19/h1-12,15H,13-14,17-18,26H2