2-[3-azanyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]-N-(3,4-dimethoxyphenyl)propanamide

Systemtic Name: 2-[3-azanyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]-N-(3,4-dimethoxyphenyl)propanamide Openeye Name: 2-(3-amino-5-benzylsulfanyl-1,2,4-triazol-4-yl)-N-(3,4-dimethoxyphenyl)propanamide CAS Name: 2-[3-amino-5-(phenylmethylthio)-1,2,4-triazol-4-yl]-N-(3,4-dimethoxyphenyl)propanamide IUPAC Name: 2-(3-amino-5-benzylsulfanyl-1,2,4-triazol-4-yl)-N-(3,4-dimethoxyphenyl)propanamide Traditional Name: 2-[3-amino-5-(benzylthio)-1,2,4-triazol-4-yl]-N-(3,4-dimethoxyphenyl)propionamide Formula: C20H23N5O3S MolecularWeight: 413.49332

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=C(C=C1)OC)OC)N2C(=NN=C2SCC3=CC=CC=C3)N

Isomeric SMILES

CC(C(=O)NC1=CC(=C(C=C1)OC)OC)N2C(=NN=C2SCC3=CC=CC=C3)N

InChI

InChI=1S/C20H23N5O3S/c1-13(18(26)22-15-9-10-16(27-2)17(11-15)28-3)25-19(21)23-24-20(25)29-12-14-7-5-4-6-8-14/h4-11,13H,12H2,1-3H3,(H2,21,23)(H,22,26)