4-(benzotriazol-1-ylmethyl)-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]benzamide

Systemtic Name: 4-(benzotriazol-1-ylmethyl)-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]benzamide Openeye Name: 4-(benzotriazol-1-ylmethyl)-N-[2-(2-thienylmethylsulfanyl)ethyl]benzamide CAS Name: 4-(1-benzotriazolylmethyl)-N-[2-(thiophen-2-ylmethylthio)ethyl]benzamide IUPAC Name: 4-(benzotriazol-1-ylmethyl)-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]benzamide Traditional Name: 4-(benzotriazol-1-ylmethyl)-N-[2-(2-thenylthio)ethyl]benzamide Formula: C21H20N4OS2 MolecularWeight: 408.5397

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=NN2CC3=CC=C(C=C3)C(=O)NCCSCC4=CC=CS4

Isomeric SMILES

C1=CC=C2C(=C1)N=NN2CC3=CC=C(C=C3)C(=O)NCCSCC4=CC=CS4

InChI

InChI=1S/C21H20N4OS2/c26-21(22-11-13-27-15-18-4-3-12-28-18)17-9-7-16(8-10-17)14-25-20-6-2-1-5-19(20)23-24-25/h1-10,12H,11,13-15H2,(H,22,26)