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

Systemtic Name: 2-[[4-azanyl-5-(3-propan-2-yloxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-phenylmethoxyphenyl)ethanamide Openeye Name: 2-[[4-amino-5-(3-isopropoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-benzyloxyphenyl)acetamide CAS Name: 2-[[4-amino-5-(3-propan-2-yloxyphenyl)-1,2,4-triazol-3-yl]thio]-N-(4-phenylmethoxyphenyl)acetamide IUPAC Name: 2-[[4-amino-5-(3-propan-2-yloxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-phenylmethoxyphenyl)acetamide Traditional Name: 2-[[4-amino-5-(3-isopropoxyphenyl)-1,2,4-triazol-3-yl]thio]-N-(4-benzoxyphenyl)acetamide Formula: C26H27N5O3S MolecularWeight: 489.58928

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=CC(=C1)C2=NN=C(N2N)SCC(=O)NC3=CC=C(C=C3)OCC4=CC=CC=C4

Isomeric SMILES

CC(C)OC1=CC=CC(=C1)C2=NN=C(N2N)SCC(=O)NC3=CC=C(C=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C26H27N5O3S/c1-18(2)34-23-10-6-9-20(15-23)25-29-30-26(31(25)27)35-17-24(32)28-21-11-13-22(14-12-21)33-16-19-7-4-3-5-8-19/h3-15,18H,16-17,27H2,1-2H3,(H,28,32)