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

Systemtic Name: cyclohexyl 2-[3-azanyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]ethanoate Openeye Name: cyclohexyl 2-(3-amino-5-benzylsulfanyl-1,2,4-triazol-4-yl)acetate CAS Name: 2-[3-amino-5-(phenylmethylthio)-1,2,4-triazol-4-yl]acetic acid cyclohexyl ester IUPAC Name: cyclohexyl 2-(3-amino-5-benzylsulfanyl-1,2,4-triazol-4-yl)acetate Traditional Name: 2-[3-amino-5-(benzylthio)-1,2,4-triazol-4-yl]acetic acid cyclohexyl ester Formula: C17H22N4O2S MolecularWeight: 346.44718

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)OC(=O)CN2C(=NN=C2SCC3=CC=CC=C3)N

Isomeric SMILES

C1CCC(CC1)OC(=O)CN2C(=NN=C2SCC3=CC=CC=C3)N

InChI

InChI=1S/C17H22N4O2S/c18-16-19-20-17(24-12-13-7-3-1-4-8-13)21(16)11-15(22)23-14-9-5-2-6-10-14/h1,3-4,7-8,14H,2,5-6,9-12H2,(H2,18,19)