N-[4-[2-[(4-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]propanoyl]phenyl]butanamide

Systemtic Name: N-[4-[2-[(4-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]propanoyl]phenyl]butanamide Openeye Name: N-[4-[2-[[4-methyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]propanoyl]phenyl]butanamide CAS Name: N-[4-[2-[[4-methyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]-1-oxopropyl]phenyl]butanamide IUPAC Name: N-[4-[2-[(4-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]propanoyl]phenyl]butanamide Traditional Name: N-[4-[2-[[4-methyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]propanoyl]phenyl]butyramide Formula: C21H23N5O2S MolecularWeight: 409.50462

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC=C(C=C1)C(=O)C(C)SC2=NN=C(N2C)C3=CN=CC=C3

Isomeric SMILES

CCCC(=O)NC1=CC=C(C=C1)C(=O)C(C)SC2=NN=C(N2C)C3=CN=CC=C3

InChI

InChI=1S/C21H23N5O2S/c1-4-6-18(27)23-17-10-8-15(9-11-17)19(28)14(2)29-21-25-24-20(26(21)3)16-7-5-12-22-13-16/h5,7-14H,4,6H2,1-3H3,(H,23,27)