N-(2,4-dimethylphenyl)-3-[(4-prop-2-enyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide

Systemtic Name: N-(2,4-dimethylphenyl)-3-[(4-prop-2-enyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: 3-[[4-allyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2,4-dimethylphenyl)propanamide CAS Name: N-(2,4-dimethylphenyl)-3-[[4-prop-2-enyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: N-(2,4-dimethylphenyl)-3-[(4-prop-2-enyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: 3-[[4-allyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]-N-(2,4-dimethylphenyl)propionamide Formula: C21H23N5OS MolecularWeight: 393.50522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)CCSC2=NN=C(N2CC=C)C3=CN=CC=C3)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)CCSC2=NN=C(N2CC=C)C3=CN=CC=C3)C

InChI

InChI=1S/C21H23N5OS/c1-4-11-26-20(17-6-5-10-22-14-17)24-25-21(26)28-12-9-19(27)23-18-8-7-15(2)13-16(18)3/h4-8,10,13-14H,1,9,11-12H2,2-3H3,(H,23,27)