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

Systemtic Name: 2-[[5-(benzotriazol-1-ylmethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-chlorophenyl)ethanamide Openeye Name: 2-[[4-allyl-5-(benzotriazol-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-chlorophenyl)acetamide CAS Name: 2-[[5-(1-benzotriazolylmethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-N-(3-chlorophenyl)acetamide IUPAC Name: 2-[[5-(benzotriazol-1-ylmethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-chlorophenyl)acetamide Traditional Name: 2-[[4-allyl-5-(benzotriazol-1-ylmethyl)-1,2,4-triazol-3-yl]thio]-N-(3-chlorophenyl)acetamide Formula: C20H18ClN7OS MolecularWeight: 439.92122

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC(=O)NC2=CC(=CC=C2)Cl)CN3C4=CC=CC=C4N=N3

Isomeric SMILES

C=CCN1C(=NN=C1SCC(=O)NC2=CC(=CC=C2)Cl)CN3C4=CC=CC=C4N=N3

InChI

InChI=1S/C20H18ClN7OS/c1-2-10-27-18(12-28-17-9-4-3-8-16(17)23-26-28)24-25-20(27)30-13-19(29)22-15-7-5-6-14(21)11-15/h2-9,11H,1,10,12-13H2,(H,22,29)