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

Systemtic Name: 3-[(4-azanyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-naphthalen-1-yl-propanamide Openeye Name: 3-[[4-amino-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(1-naphthyl)propanamide CAS Name: 3-[(4-amino-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]-N-(1-naphthalenyl)propanamide IUPAC Name: 3-[(4-amino-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-naphthalen-1-ylpropanamide Traditional Name: 3-[[4-amino-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-N-(1-naphthyl)propionamide Formula: C20H18N6OS MolecularWeight: 390.46152

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2NC(=O)CCSC3=NN=C(N3N)C4=CC=NC=C4

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2NC(=O)CCSC3=NN=C(N3N)C4=CC=NC=C4

InChI

InChI=1S/C20H18N6OS/c21-26-19(15-8-11-22-12-9-15)24-25-20(26)28-13-10-18(27)23-17-7-3-5-14-4-1-2-6-16(14)17/h1-9,11-12H,10,13,21H2,(H,23,27)