2-[(5-azanyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-chloranyl-3-methoxy-phenyl)ethanamide

Systemtic Name: 2-[(5-azanyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-chloranyl-3-methoxy-phenyl)ethanamide Openeye Name: 2-[(5-amino-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-chloro-3-methoxy-phenyl)acetamide CAS Name: 2-[(5-amino-4-phenyl-1,2,4-triazol-3-yl)thio]-N-(4-chloro-3-methoxyphenyl)acetamide IUPAC Name: 2-[(5-amino-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-chloro-3-methoxyphenyl)acetamide Traditional Name: 2-[(5-amino-4-phenyl-1,2,4-triazol-3-yl)thio]-N-(4-chloro-3-methoxy-phenyl)acetamide Formula: C17H16ClN5O2S MolecularWeight: 389.85924

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)N)Cl

Isomeric SMILES

COC1=C(C=CC(=C1)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)N)Cl

InChI

InChI=1S/C17H16ClN5O2S/c1-25-14-9-11(7-8-13(14)18)20-15(24)10-26-17-22-21-16(19)23(17)12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H2,19,21)(H,20,24)