N-(2-hydroxyethyl)-4-[[5-(3-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzamide

Systemtic Name: N-(2-hydroxyethyl)-4-[[5-(3-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzamide Openeye Name: 4-[[4-allyl-5-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-N-(2-hydroxyethyl)benzamide CAS Name: N-(2-hydroxyethyl)-4-[[[5-(3-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]methyl]benzamide IUPAC Name: N-(2-hydroxyethyl)-4-[[5-(3-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzamide Traditional Name: 4-[[[4-allyl-5-(3-methoxyphenyl)-1,2,4-triazol-3-yl]thio]methyl]-N-(2-hydroxyethyl)benzamide Formula: C22H24N4O3S MolecularWeight: 424.51596

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=NN=C(N2CC=C)SCC3=CC=C(C=C3)C(=O)NCCO

Isomeric SMILES

COC1=CC=CC(=C1)C2=NN=C(N2CC=C)SCC3=CC=C(C=C3)C(=O)NCCO

InChI

InChI=1S/C22H24N4O3S/c1-3-12-26-20(18-5-4-6-19(14-18)29-2)24-25-22(26)30-15-16-7-9-17(10-8-16)21(28)23-11-13-27/h3-10,14,27H,1,11-13,15H2,2H3,(H,23,28)