N-(4-cyanophenyl)-2-[[4-methyl-5-(3-propan-2-yloxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-(4-cyanophenyl)-2-[[4-methyl-5-(3-propan-2-yloxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(4-cyanophenyl)-2-[[5-(3-isopropoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(4-cyanophenyl)-2-[[4-methyl-5-(3-propan-2-yloxyphenyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(4-cyanophenyl)-2-[[4-methyl-5-(3-propan-2-yloxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(4-cyanophenyl)-2-[[5-(3-isopropoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]thio]acetamide Formula: C21H21N5O2S MolecularWeight: 407.48874

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=CC(=C1)C2=NN=C(N2C)SCC(=O)NC3=CC=C(C=C3)C#N

Isomeric SMILES

CC(C)OC1=CC=CC(=C1)C2=NN=C(N2C)SCC(=O)NC3=CC=C(C=C3)C#N

InChI

InChI=1S/C21H21N5O2S/c1-14(2)28-18-6-4-5-16(11-18)20-24-25-21(26(20)3)29-13-19(27)23-17-9-7-15(12-22)8-10-17/h4-11,14H,13H2,1-3H3,(H,23,27)