(4-cyanophenyl)methyl 2-[(4-azanyl-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]ethanoate

Systemtic Name: (4-cyanophenyl)methyl 2-[(4-azanyl-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]ethanoate Openeye Name: (4-cyanophenyl)methyl 2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]acetate CAS Name: 2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)thio]acetic acid (4-cyanophenyl)methyl ester IUPAC Name: (4-cyanophenyl)methyl 2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]acetate Traditional Name: 2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)thio]acetic acid (4-cyanobenzyl) ester Formula: C18H21N5O2S MolecularWeight: 371.45664

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=NN=C(N2N)SCC(=O)OCC3=CC=C(C=C3)C#N

Isomeric SMILES

C1CCC(CC1)C2=NN=C(N2N)SCC(=O)OCC3=CC=C(C=C3)C#N

InChI

InChI=1S/C18H21N5O2S/c19-10-13-6-8-14(9-7-13)11-25-16(24)12-26-18-22-21-17(23(18)20)15-4-2-1-3-5-15/h6-9,15H,1-5,11-12,20H2