1-[(4-chlorophenyl)methyl]-3-(4-prop-2-enyl-5-prop-2-ynylsulfanyl-1,2,4-triazol-3-yl)pyridin-2-one

Systemtic Name: 1-[(4-chlorophenyl)methyl]-3-(4-prop-2-enyl-5-prop-2-ynylsulfanyl-1,2,4-triazol-3-yl)pyridin-2-one Openeye Name: 3-(4-allyl-5-prop-2-ynylsulfanyl-1,2,4-triazol-3-yl)-1-[(4-chlorophenyl)methyl]pyridin-2-one CAS Name: 1-[(4-chlorophenyl)methyl]-3-[4-prop-2-enyl-5-(prop-2-ynylthio)-1,2,4-triazol-3-yl]-2-pyridinone IUPAC Name: 1-[(4-chlorophenyl)methyl]-3-(4-prop-2-enyl-5-prop-2-ynylsulfanyl-1,2,4-triazol-3-yl)pyridin-2-one Traditional Name: 3-[4-allyl-5-(propargylthio)-1,2,4-triazol-3-yl]-1-(4-chlorobenzyl)-2-pyridone Formula: C20H17ClN4OS MolecularWeight: 396.89318

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC#C)C2=CC=CN(C2=O)CC3=CC=C(C=C3)Cl

Isomeric SMILES

C=CCN1C(=NN=C1SCC#C)C2=CC=CN(C2=O)CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H17ClN4OS/c1-3-11-25-18(22-23-20(25)27-13-4-2)17-6-5-12-24(19(17)26)14-15-7-9-16(21)10-8-15/h2-3,5-10,12H,1,11,13-14H2