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

Systemtic Name: 4-[[5-(2-azanylethyl)-4-(4-phenylmethoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 4-[[5-(2-aminoethyl)-4-(4-benzyloxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile CAS Name: 4-[[[5-(2-aminoethyl)-4-(4-phenylmethoxyphenyl)-1,2,4-triazol-3-yl]thio]methyl]benzonitrile IUPAC Name: 4-[[5-(2-aminoethyl)-4-(4-phenylmethoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile Traditional Name: 4-[[[5-(2-aminoethyl)-4-(4-benzoxyphenyl)-1,2,4-triazol-3-yl]thio]methyl]benzonitrile Formula: C25H23N5OS MolecularWeight: 441.54802

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=C(C=C2)N3C(=NN=C3SCC4=CC=C(C=C4)C#N)CCN

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=C(C=C2)N3C(=NN=C3SCC4=CC=C(C=C4)C#N)CCN

InChI

InChI=1S/C25H23N5OS/c26-15-14-24-28-29-25(32-18-21-8-6-19(16-27)7-9-21)30(24)22-10-12-23(13-11-22)31-17-20-4-2-1-3-5-20/h1-13H,14-15,17-18,26H2