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

Systemtic Name: N-[4-[2-[(4-azanyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]phenyl]propanamide Openeye Name: N-[4-[2-[[4-amino-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]phenyl]propanamide CAS Name: N-[4-[2-[[4-amino-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]-1-oxoethyl]phenyl]propanamide IUPAC Name: N-[4-[2-[(4-amino-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]phenyl]propanamide Traditional Name: N-[4-[2-[[4-amino-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]acetyl]phenyl]propionamide Formula: C18H18N6O2S MolecularWeight: 382.43952

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC=C(C=C1)C(=O)CSC2=NN=C(N2N)C3=CN=CC=C3

Isomeric SMILES

CCC(=O)NC1=CC=C(C=C1)C(=O)CSC2=NN=C(N2N)C3=CN=CC=C3

InChI

InChI=1S/C18H18N6O2S/c1-2-16(26)21-14-7-5-12(6-8-14)15(25)11-27-18-23-22-17(24(18)19)13-4-3-9-20-10-13/h3-10H,2,11,19H2,1H3,(H,21,26)