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

Systemtic Name: 3-[[5-(benzotriazol-1-ylmethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-pyridin-2-yl-propanamide Openeye Name: 3-[[4-allyl-5-(benzotriazol-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-pyridyl)propanamide CAS Name: 3-[[5-(1-benzotriazolylmethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-N-(2-pyridinyl)propanamide IUPAC Name: 3-[[5-(benzotriazol-1-ylmethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-pyridin-2-ylpropanamide Traditional Name: 3-[[4-allyl-5-(benzotriazol-1-ylmethyl)-1,2,4-triazol-3-yl]thio]-N-(2-pyridyl)propionamide Formula: C20H20N8OS MolecularWeight: 420.4908

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCCC(=O)NC2=CC=CC=N2)CN3C4=CC=CC=C4N=N3

Isomeric SMILES

C=CCN1C(=NN=C1SCCC(=O)NC2=CC=CC=N2)CN3C4=CC=CC=C4N=N3

InChI

InChI=1S/C20H20N8OS/c1-2-12-27-18(14-28-16-8-4-3-7-15(16)23-26-28)24-25-20(27)30-13-10-19(29)22-17-9-5-6-11-21-17/h2-9,11H,1,10,12-14H2,(H,21,22,29)