N-[(4-ethylphenyl)-thiophen-2-yl-methyl]-2H-benzotriazole-5-carboxamide

Systemtic Name: N-[(4-ethylphenyl)-thiophen-2-yl-methyl]-2H-benzotriazole-5-carboxamide Openeye Name: N-[(4-ethylphenyl)-(2-thienyl)methyl]-2H-benzotriazole-5-carboxamide CAS Name: N-[(4-ethylphenyl)-thiophen-2-ylmethyl]-2H-benzotriazole-5-carboxamide IUPAC Name: N-[(4-ethylphenyl)-thiophen-2-ylmethyl]-2H-benzotriazole-5-carboxamide Traditional Name: N-[(4-ethylphenyl)-(2-thienyl)methyl]-2H-benzotriazole-5-carboxamide Formula: C20H18N4OS MolecularWeight: 362.44812

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(C2=CC=CS2)NC(=O)C3=CC4=NNN=C4C=C3

Isomeric SMILES

CCC1=CC=C(C=C1)C(C2=CC=CS2)NC(=O)C3=CC4=NNN=C4C=C3

InChI

InChI=1S/C20H18N4OS/c1-2-13-5-7-14(8-6-13)19(18-4-3-11-26-18)21-20(25)15-9-10-16-17(12-15)23-24-22-16/h3-12,19H,2H2,1H3,(H,21,25)(H,22,23,24)