4-[[5-[4-(diethylamino)phenyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 4-[[5-[4-(diethylamino)phenyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 4-[[5-[4-(diethylamino)phenyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile CAS Name: 4-[[[5-[4-(diethylamino)phenyl]-4-ethyl-1,2,4-triazol-3-yl]thio]methyl]benzonitrile IUPAC Name: 4-[[5-[4-(diethylamino)phenyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile Traditional Name: 4-[[[5-[4-(diethylamino)phenyl]-4-ethyl-1,2,4-triazol-3-yl]thio]methyl]benzonitrile Formula: C22H25N5S MolecularWeight: 391.5324

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=CC=C(C=C2)C#N)C3=CC=C(C=C3)N(CC)CC

Isomeric SMILES

CCN1C(=NN=C1SCC2=CC=C(C=C2)C#N)C3=CC=C(C=C3)N(CC)CC

InChI

InChI=1S/C22H25N5S/c1-4-26(5-2)20-13-11-19(12-14-20)21-24-25-22(27(21)6-3)28-16-18-9-7-17(15-23)8-10-18/h7-14H,4-6,16H2,1-3H3