2-[(4-azanyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[(1R)-1-naphthalen-1-ylethyl]ethanamide

Systemtic Name: 2-[(4-azanyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[(1R)-1-naphthalen-1-ylethyl]ethanamide Openeye Name: 2-[[4-amino-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(1R)-1-(1-naphthyl)ethyl]acetamide CAS Name: 2-[[4-amino-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]-N-[(1R)-1-(1-naphthalenyl)ethyl]acetamide IUPAC Name: 2-[(4-amino-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[(1R)-1-naphthalen-1-ylethyl]acetamide Traditional Name: 2-[[4-amino-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]-N-[(1R)-1-(1-naphthyl)ethyl]acetamide Formula: C21H20N6OS MolecularWeight: 404.4881

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC2=CC=CC=C21)NC(=O)CSC3=NN=C(N3N)C4=CN=CC=C4

Isomeric SMILES

C[C@H](C1=CC=CC2=CC=CC=C21)NC(=O)CSC3=NN=C(N3N)C4=CN=CC=C4

InChI

InChI=1S/C21H20N6OS/c1-14(17-10-4-7-15-6-2-3-9-18(15)17)24-19(28)13-29-21-26-25-20(27(21)22)16-8-5-11-23-12-16/h2-12,14H,13,22H2,1H3,(H,24,28)/t14-/m1/s1