N-(4-acetamidophenyl)-2-(3-azanyl-5-phenethylsulfanyl-1,2,4-triazol-4-yl)ethanamide

Systemtic Name: N-(4-acetamidophenyl)-2-(3-azanyl-5-phenethylsulfanyl-1,2,4-triazol-4-yl)ethanamide Openeye Name: N-(4-acetamidophenyl)-2-(3-amino-5-phenethylsulfanyl-1,2,4-triazol-4-yl)acetamide CAS Name: N-(4-acetamidophenyl)-2-[3-amino-5-(phenethylthio)-1,2,4-triazol-4-yl]acetamide IUPAC Name: N-(4-acetamidophenyl)-2-(3-amino-5-phenethylsulfanyl-1,2,4-triazol-4-yl)acetamide Traditional Name: N-(4-acetamidophenyl)-2-[3-amino-5-(phenethylthio)-1,2,4-triazol-4-yl]acetamide Formula: C20H22N6O2S MolecularWeight: 410.49268

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)NC(=O)CN2C(=NN=C2SCCC3=CC=CC=C3)N

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)NC(=O)CN2C(=NN=C2SCCC3=CC=CC=C3)N

InChI

InChI=1S/C20H22N6O2S/c1-14(27)22-16-7-9-17(10-8-16)23-18(28)13-26-19(21)24-25-20(26)29-12-11-15-5-3-2-4-6-15/h2-10H,11-13H2,1H3,(H2,21,24)(H,22,27)(H,23,28)