2-[[4-azanyl-5-[(4-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone

Systemtic Name: 2-[[4-azanyl-5-[(4-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone Openeye Name: 2-[[4-amino-5-[(4-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone CAS Name: 2-[[4-amino-5-[(4-methylphenoxy)methyl]-1,2,4-triazol-3-yl]thio]-1-phenylethanone IUPAC Name: 2-[[4-amino-5-[(4-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-1-phenylethanone Traditional Name: 2-[[4-amino-5-[(4-methylphenoxy)methyl]-1,2,4-triazol-3-yl]thio]-1-phenyl-ethanone Formula: C18H18N4O2S MolecularWeight: 354.42612

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCC2=NN=C(N2N)SCC(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)OCC2=NN=C(N2N)SCC(=O)C3=CC=CC=C3

InChI

InChI=1S/C18H18N4O2S/c1-13-7-9-15(10-8-13)24-11-17-20-21-18(22(17)19)25-12-16(23)14-5-3-2-4-6-14/h2-10H,11-12,19H2,1H3