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

Systemtic Name: 2-[[4-azanyl-5-[[(4-methoxyphenyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-ethanamide Openeye Name: 2-[[4-amino-5-[(4-methoxyanilino)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-acetamide CAS Name: 2-[[4-amino-5-[(4-methoxyanilino)methyl]-1,2,4-triazol-3-yl]thio]-N-phenylacetamide IUPAC Name: 2-[[4-amino-5-[(4-methoxyanilino)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide Traditional Name: 2-[[4-amino-5-(p-anisidinomethyl)-1,2,4-triazol-3-yl]thio]-N-phenyl-acetamide Formula: C18H20N6O2S MolecularWeight: 384.4554

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NCC2=NN=C(N2N)SCC(=O)NC3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)NCC2=NN=C(N2N)SCC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C18H20N6O2S/c1-26-15-9-7-13(8-10-15)20-11-16-22-23-18(24(16)19)27-12-17(25)21-14-5-3-2-4-6-14/h2-10,20H,11-12,19H2,1H3,(H,21,25)