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

Systemtic Name: 2-[(4-azanyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-chloranyl-2-methoxy-5-methyl-phenyl)ethanamide Openeye Name: 2-[(4-amino-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-chloro-2-methoxy-5-methyl-phenyl)acetamide CAS Name: 2-[(4-amino-5-phenyl-1,2,4-triazol-3-yl)thio]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide IUPAC Name: 2-[(4-amino-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide Traditional Name: 2-[(4-amino-5-phenyl-1,2,4-triazol-3-yl)thio]-N-(4-chloro-2-methoxy-5-methyl-phenyl)acetamide Formula: C18H18ClN5O2S MolecularWeight: 403.88582

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)OC)NC(=O)CSC2=NN=C(N2N)C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(C=C1Cl)OC)NC(=O)CSC2=NN=C(N2N)C3=CC=CC=C3

InChI

InChI=1S/C18H18ClN5O2S/c1-11-8-14(15(26-2)9-13(11)19)21-16(25)10-27-18-23-22-17(24(18)20)12-6-4-3-5-7-12/h3-9H,10,20H2,1-2H3,(H,21,25)