2-[[4-azanyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(phenylmethyl)-N-propan-2-yl-ethanamide

Systemtic Name: 2-[[4-azanyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(phenylmethyl)-N-propan-2-yl-ethanamide Openeye Name: 2-[[4-amino-5-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]-N-benzyl-N-isopropyl-acetamide CAS Name: 2-[[4-amino-5-(4-methylphenyl)-1,2,4-triazol-3-yl]thio]-N-(phenylmethyl)-N-propan-2-ylacetamide IUPAC Name: 2-[[4-amino-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-benzyl-N-propan-2-ylacetamide Traditional Name: 2-[[4-amino-5-(p-tolyl)-1,2,4-triazol-3-yl]thio]-N-benzyl-N-isopropyl-acetamide Formula: C21H25N5OS MolecularWeight: 395.5211

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN=C(N2N)SCC(=O)N(CC3=CC=CC=C3)C(C)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(N2N)SCC(=O)N(CC3=CC=CC=C3)C(C)C

InChI

InChI=1S/C21H25N5OS/c1-15(2)25(13-17-7-5-4-6-8-17)19(27)14-28-21-24-23-20(26(21)22)18-11-9-16(3)10-12-18/h4-12,15H,13-14,22H2,1-3H3