N-[3-[(4-chlorophenyl)methylsulfanyl]-1H-1,2,4-triazol-5-yl]quinoxaline-2-carboxamide

Systemtic Name: N-[3-[(4-chlorophenyl)methylsulfanyl]-1H-1,2,4-triazol-5-yl]quinoxaline-2-carboxamide Openeye Name: N-[3-[(4-chlorophenyl)methylsulfanyl]-1H-1,2,4-triazol-5-yl]quinoxaline-2-carboxamide CAS Name: N-[3-[(4-chlorophenyl)methylthio]-1H-1,2,4-triazol-5-yl]-2-quinoxalinecarboxamide IUPAC Name: N-[3-[(4-chlorophenyl)methylsulfanyl]-1H-1,2,4-triazol-5-yl]quinoxaline-2-carboxamide Traditional Name: N-[3-[(4-chlorobenzyl)thio]-1H-1,2,4-triazol-5-yl]quinoxaline-2-carboxamide Formula: C18H13ClN6OS MolecularWeight: 396.85342

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=CC(=N2)C(=O)NC3=NC(=NN3)SCC4=CC=C(C=C4)Cl

Isomeric SMILES

C1=CC=C2C(=C1)N=CC(=N2)C(=O)NC3=NC(=NN3)SCC4=CC=C(C=C4)Cl

InChI

InChI=1S/C18H13ClN6OS/c19-12-7-5-11(6-8-12)10-27-18-23-17(24-25-18)22-16(26)15-9-20-13-3-1-2-4-14(13)21-15/h1-9H,10H2,(H2,22,23,24,25,26)