1-ethyl-N-[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]-N-prop-2-enyl-benzotriazole-5-carboxamide

Systemtic Name: 1-ethyl-N-[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]-N-prop-2-enyl-benzotriazole-5-carboxamide Openeye Name: N-allyl-1-ethyl-N-[4-(4-methylsulfonylphenyl)thiazol-2-yl]benzotriazole-5-carboxamide CAS Name: 1-ethyl-N-[4-(4-methylsulfonylphenyl)-2-thiazolyl]-N-prop-2-enyl-5-benzotriazolecarboxamide IUPAC Name: 1-ethyl-N-[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]-N-prop-2-enylbenzotriazole-5-carboxamide Traditional Name: N-allyl-1-ethyl-N-[4-(4-mesylphenyl)thiazol-2-yl]benzotriazole-5-carboxamide Formula: C22H21N5O3S2 MolecularWeight: 467.56384

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)N(CC=C)C3=NC(=CS3)C4=CC=C(C=C4)S(=O)(=O)C)N=N1

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)N(CC=C)C3=NC(=CS3)C4=CC=C(C=C4)S(=O)(=O)C)N=N1

InChI

InChI=1S/C22H21N5O3S2/c1-4-12-26(21(28)16-8-11-20-18(13-16)24-25-27(20)5-2)22-23-19(14-31-22)15-6-9-17(10-7-15)32(3,29)30/h4,6-11,13-14H,1,5,12H2,2-3H3