N-aminocarbonyl-2-[[4-(3-chloranyl-2-methyl-phenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide

Systemtic Name: N-aminocarbonyl-2-[[4-(3-chloranyl-2-methyl-phenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide Openeye Name: N-carbamoyl-2-[[4-(3-chloro-2-methyl-phenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: N-carbamoyl-2-[[4-(3-chloro-2-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: N-carbamoyl-2-[[4-(3-chloro-2-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide Traditional Name: N-carbamoyl-2-[[4-(3-chloro-2-methyl-phenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]propionamide Formula: C18H17ClN6O2S MolecularWeight: 416.88458

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)N2C(=NN=C2SC(C)C(=O)NC(=O)N)C3=CC=NC=C3

Isomeric SMILES

CC1=C(C=CC=C1Cl)N2C(=NN=C2SC(C)C(=O)NC(=O)N)C3=CC=NC=C3

InChI

InChI=1S/C18H17ClN6O2S/c1-10-13(19)4-3-5-14(10)25-15(12-6-8-21-9-7-12)23-24-18(25)28-11(2)16(26)22-17(20)27/h3-9,11H,1-2H3,(H3,20,22,26,27)