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

Systemtic Name: 2-[[4-azanyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methoxyphenyl)ethanone Openeye Name: 2-[[4-amino-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methoxyphenyl)ethanone CAS Name: 2-[[4-amino-5-(phenoxymethyl)-1,2,4-triazol-3-yl]thio]-1-(4-methoxyphenyl)ethanone IUPAC Name: 2-[[4-amino-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methoxyphenyl)ethanone Traditional Name: 2-[[4-amino-5-(phenoxymethyl)-1,2,4-triazol-3-yl]thio]-1-(4-methoxyphenyl)ethanone Formula: C18H18N4O3S MolecularWeight: 370.42552

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)CSC2=NN=C(N2N)COC3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)CSC2=NN=C(N2N)COC3=CC=CC=C3

InChI

InChI=1S/C18H18N4O3S/c1-24-14-9-7-13(8-10-14)16(23)12-26-18-21-20-17(22(18)19)11-25-15-5-3-2-4-6-15/h2-10H,11-12,19H2,1H3