2-[3-azanyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]-N-(4-ethoxyphenyl)ethanamide

Systemtic Name: 2-[3-azanyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]-N-(4-ethoxyphenyl)ethanamide Openeye Name: 2-(3-amino-5-benzylsulfanyl-1,2,4-triazol-4-yl)-N-(4-ethoxyphenyl)acetamide CAS Name: 2-[3-amino-5-(phenylmethylthio)-1,2,4-triazol-4-yl]-N-(4-ethoxyphenyl)acetamide IUPAC Name: 2-(3-amino-5-benzylsulfanyl-1,2,4-triazol-4-yl)-N-(4-ethoxyphenyl)acetamide Traditional Name: 2-[3-amino-5-(benzylthio)-1,2,4-triazol-4-yl]-N-p-phenetyl-acetamide Formula: C19H21N5O2S MolecularWeight: 383.46734

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)CN2C(=NN=C2SCC3=CC=CC=C3)N

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)CN2C(=NN=C2SCC3=CC=CC=C3)N

InChI

InChI=1S/C19H21N5O2S/c1-2-26-16-10-8-15(9-11-16)21-17(25)12-24-18(20)22-23-19(24)27-13-14-6-4-3-5-7-14/h3-11H,2,12-13H2,1H3,(H2,20,22)(H,21,25)