2-[[5-(methoxymethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-1-(3-methoxyphenyl)ethanone

Systemtic Name: 2-[[5-(methoxymethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-1-(3-methoxyphenyl)ethanone Openeye Name: 2-[[4-allyl-5-(methoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(3-methoxyphenyl)ethanone CAS Name: 2-[[5-(methoxymethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-1-(3-methoxyphenyl)ethanone IUPAC Name: 2-[[5-(methoxymethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-1-(3-methoxyphenyl)ethanone Traditional Name: 2-[[4-allyl-5-(methoxymethyl)-1,2,4-triazol-3-yl]thio]-1-(3-methoxyphenyl)ethanone Formula: C16H19N3O3S MolecularWeight: 333.40536

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Descriptors Computed from Structure

Canonical SMILES:

COCC1=NN=C(N1CC=C)SCC(=O)C2=CC(=CC=C2)OC

Isomeric SMILES

COCC1=NN=C(N1CC=C)SCC(=O)C2=CC(=CC=C2)OC

InChI

InChI=1S/C16H19N3O3S/c1-4-8-19-15(10-21-2)17-18-16(19)23-11-14(20)12-6-5-7-13(9-12)22-3/h4-7,9H,1,8,10-11H2,2-3H3