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

Systemtic Name: 2-[[4-azanyl-5-(3,4-dimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-ethylphenyl)ethanamide Openeye Name: 2-[[4-amino-5-(3,4-dimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-ethylphenyl)acetamide CAS Name: 2-[[4-amino-5-(3,4-dimethoxyphenyl)-1,2,4-triazol-3-yl]thio]-N-(3-ethylphenyl)acetamide IUPAC Name: 2-[[4-amino-5-(3,4-dimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-ethylphenyl)acetamide Traditional Name: 2-[[4-amino-5-(3,4-dimethoxyphenyl)-1,2,4-triazol-3-yl]thio]-N-(3-ethylphenyl)acetamide Formula: C20H23N5O3S MolecularWeight: 413.49332

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)NC(=O)CSC2=NN=C(N2N)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CCC1=CC(=CC=C1)NC(=O)CSC2=NN=C(N2N)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C20H23N5O3S/c1-4-13-6-5-7-15(10-13)22-18(26)12-29-20-24-23-19(25(20)21)14-8-9-16(27-2)17(11-14)28-3/h5-11H,4,12,21H2,1-3H3,(H,22,26)