N-[1-(4-imidazol-1-ylphenyl)ethyl]-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide

Systemtic Name: N-[1-(4-imidazol-1-ylphenyl)ethyl]-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide Openeye Name: N-[1-(4-imidazol-1-ylphenyl)ethyl]-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide CAS Name: N-[1-[4-(1-imidazolyl)phenyl]ethyl]-4-[(1H-1,2,4-triazol-5-ylthio)methyl]benzamide IUPAC Name: N-[1-(4-imidazol-1-ylphenyl)ethyl]-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide Traditional Name: N-[1-(4-imidazol-1-ylphenyl)ethyl]-4-[(1H-1,2,4-triazol-5-ylthio)methyl]benzamide Formula: C21H20N6OS MolecularWeight: 404.4881

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)N2C=CN=C2)NC(=O)C3=CC=C(C=C3)CSC4=NC=NN4

Isomeric SMILES

CC(C1=CC=C(C=C1)N2C=CN=C2)NC(=O)C3=CC=C(C=C3)CSC4=NC=NN4

InChI

InChI=1S/C21H20N6OS/c1-15(17-6-8-19(9-7-17)27-11-10-22-14-27)25-20(28)18-4-2-16(3-5-18)12-29-21-23-13-24-26-21/h2-11,13-15H,12H2,1H3,(H,25,28)(H,23,24,26)