1-ethyl-N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]benzotriazole-5-carboxamide

Systemtic Name: 1-ethyl-N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]benzotriazole-5-carboxamide Openeye Name: 1-ethyl-N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]benzotriazole-5-carboxamide CAS Name: 1-ethyl-N-[4-[(4-methyl-1,2,4-triazol-3-yl)thio]phenyl]-5-benzotriazolecarboxamide IUPAC Name: 1-ethyl-N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]benzotriazole-5-carboxamide Traditional Name: 1-ethyl-N-[4-[(4-methyl-1,2,4-triazol-3-yl)thio]phenyl]benzotriazole-5-carboxamide Formula: C18H17N7OS MolecularWeight: 379.43888

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)NC3=CC=C(C=C3)SC4=NN=CN4C)N=N1

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)NC3=CC=C(C=C3)SC4=NN=CN4C)N=N1

InChI

InChI=1S/C18H17N7OS/c1-3-25-16-9-4-12(10-15(16)21-23-25)17(26)20-13-5-7-14(8-6-13)27-18-22-19-11-24(18)2/h4-11H,3H2,1-2H3,(H,20,26)