2-[[5-(phenylmethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(pyridin-3-ylmethyl)ethanamide

Systemtic Name: 2-[[5-(phenylmethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(pyridin-3-ylmethyl)ethanamide Openeye Name: 2-[(4-allyl-5-benzyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-pyridylmethyl)acetamide CAS Name: 2-[[5-(phenylmethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-N-(3-pyridinylmethyl)acetamide IUPAC Name: 2-[(5-benzyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-N-(pyridin-3-ylmethyl)acetamide Traditional Name: 2-[(4-allyl-5-benzyl-1,2,4-triazol-3-yl)thio]-N-(3-pyridylmethyl)acetamide Formula: C20H21N5OS MolecularWeight: 379.47864

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC(=O)NCC2=CN=CC=C2)CC3=CC=CC=C3

Isomeric SMILES

C=CCN1C(=NN=C1SCC(=O)NCC2=CN=CC=C2)CC3=CC=CC=C3

InChI

InChI=1S/C20H21N5OS/c1-2-11-25-18(12-16-7-4-3-5-8-16)23-24-20(25)27-15-19(26)22-14-17-9-6-10-21-13-17/h2-10,13H,1,11-12,14-15H2,(H,22,26)