N-(phenylmethyl)-2-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide

Systemtic Name: N-(phenylmethyl)-2-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: N-benzyl-2-[[4-propyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: N-(phenylmethyl)-2-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: N-benzyl-2-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: N-benzyl-2-[[4-propyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]propionamide Formula: C20H23N5OS MolecularWeight: 381.49452

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=C1SC(C)C(=O)NCC2=CC=CC=C2)C3=CC=NC=C3

Isomeric SMILES

CCCN1C(=NN=C1SC(C)C(=O)NCC2=CC=CC=C2)C3=CC=NC=C3

InChI

InChI=1S/C20H23N5OS/c1-3-13-25-18(17-9-11-21-12-10-17)23-24-20(25)27-15(2)19(26)22-14-16-7-5-4-6-8-16/h4-12,15H,3,13-14H2,1-2H3,(H,22,26)