2-[(4-azanyl-5-phenethyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-methoxyphenyl)ethanone

Systemtic Name: 2-[(4-azanyl-5-phenethyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-methoxyphenyl)ethanone Openeye Name: 2-[(4-amino-5-phenethyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-methoxyphenyl)ethanone CAS Name: 2-[(4-amino-5-phenethyl-1,2,4-triazol-3-yl)thio]-1-(4-methoxyphenyl)ethanone IUPAC Name: 2-[(4-amino-5-phenethyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-methoxyphenyl)ethanone Traditional Name: 2-[(4-amino-5-phenethyl-1,2,4-triazol-3-yl)thio]-1-(4-methoxyphenyl)ethanone Formula: C19H20N4O2S MolecularWeight: 368.4527

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)CSC2=NN=C(N2N)CCC3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)CSC2=NN=C(N2N)CCC3=CC=CC=C3

InChI

InChI=1S/C19H20N4O2S/c1-25-16-10-8-15(9-11-16)17(24)13-26-19-22-21-18(23(19)20)12-7-14-5-3-2-4-6-14/h2-6,8-11H,7,12-13,20H2,1H3