2-[[5-(3-azanyl-3-oxidanylidene-propyl)-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-chloranylpyridin-3-yl)propanamide

Systemtic Name: 2-[[5-(3-azanyl-3-oxidanylidene-propyl)-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-chloranylpyridin-3-yl)propanamide Openeye Name: 2-[[5-(3-amino-3-oxo-propyl)-4-(2-furylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-chloro-3-pyridyl)propanamide CAS Name: 2-[[5-(3-amino-3-oxopropyl)-4-(2-furanylmethyl)-1,2,4-triazol-3-yl]thio]-N-(2-chloro-3-pyridinyl)propanamide IUPAC Name: 2-[[5-(3-amino-3-oxopropyl)-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-chloropyridin-3-yl)propanamide Traditional Name: 2-[[5-(3-amino-3-keto-propyl)-4-(2-furfuryl)-1,2,4-triazol-3-yl]thio]-N-(2-chloro-3-pyridyl)propionamide Formula: C18H19ClN6O3S MolecularWeight: 434.89986

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(N=CC=C1)Cl)SC2=NN=C(N2CC3=CC=CO3)CCC(=O)N

Isomeric SMILES

CC(C(=O)NC1=C(N=CC=C1)Cl)SC2=NN=C(N2CC3=CC=CO3)CCC(=O)N

InChI

InChI=1S/C18H19ClN6O3S/c1-11(17(27)22-13-5-2-8-21-16(13)19)29-18-24-23-15(7-6-14(20)26)25(18)10-12-4-3-9-28-12/h2-5,8-9,11H,6-7,10H2,1H3,(H2,20,26)(H,22,27)