N-[(4-dimethylaminophenyl)methyl]-2-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-[(4-dimethylaminophenyl)methyl]-2-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-[(4-dimethylaminophenyl)methyl]-2-[[4-propyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-[(4-dimethylaminophenyl)methyl]-2-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-[(4-dimethylaminophenyl)methyl]-2-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-[4-(dimethylamino)benzyl]-2-[[4-propyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C21H26N6OS MolecularWeight: 410.53574

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=C1SCC(=O)NCC2=CC=C(C=C2)N(C)C)C3=CC=NC=C3

Isomeric SMILES

CCCN1C(=NN=C1SCC(=O)NCC2=CC=C(C=C2)N(C)C)C3=CC=NC=C3

InChI

InChI=1S/C21H26N6OS/c1-4-13-27-20(17-9-11-22-12-10-17)24-25-21(27)29-15-19(28)23-14-16-5-7-18(8-6-16)26(2)3/h5-12H,4,13-15H2,1-3H3,(H,23,28)