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

Systemtic Name: 2-[[4-azanyl-5-(3-propan-2-yloxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-ethylphenyl)ethanamide Openeye Name: 2-[[4-amino-5-(3-isopropoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-ethylphenyl)acetamide CAS Name: 2-[[4-amino-5-(3-propan-2-yloxyphenyl)-1,2,4-triazol-3-yl]thio]-N-(2-ethylphenyl)acetamide IUPAC Name: 2-[[4-amino-5-(3-propan-2-yloxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-ethylphenyl)acetamide Traditional Name: 2-[[4-amino-5-(3-isopropoxyphenyl)-1,2,4-triazol-3-yl]thio]-N-(2-ethylphenyl)acetamide Formula: C21H25N5O2S MolecularWeight: 411.5205

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)CSC2=NN=C(N2N)C3=CC(=CC=C3)OC(C)C

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)CSC2=NN=C(N2N)C3=CC(=CC=C3)OC(C)C

InChI

InChI=1S/C21H25N5O2S/c1-4-15-8-5-6-11-18(15)23-19(27)13-29-21-25-24-20(26(21)22)16-9-7-10-17(12-16)28-14(2)3/h5-12,14H,4,13,22H2,1-3H3,(H,23,27)