4-(4-chlorophenyl)-3-(2,2-dimethoxyethyl)-5-prop-2-ynylsulfanyl-1,2,4-triazole

Systemtic Name: 4-(4-chlorophenyl)-3-(2,2-dimethoxyethyl)-5-prop-2-ynylsulfanyl-1,2,4-triazole Openeye Name: 4-(4-chlorophenyl)-3-(2,2-dimethoxyethyl)-5-prop-2-ynylsulfanyl-1,2,4-triazole CAS Name: 4-(4-chlorophenyl)-3-(2,2-dimethoxyethyl)-5-(prop-2-ynylthio)-1,2,4-triazole IUPAC Name: 4-(4-chlorophenyl)-3-(2,2-dimethoxyethyl)-5-prop-2-ynylsulfanyl-1,2,4-triazole Traditional Name: 4-(4-chlorophenyl)-3-(2,2-dimethoxyethyl)-5-(propargylthio)-1,2,4-triazole Formula: C15H16ClN3O2S MolecularWeight: 337.82444

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Descriptors Computed from Structure

Canonical SMILES:

COC(CC1=NN=C(N1C2=CC=C(C=C2)Cl)SCC#C)OC

Isomeric SMILES

COC(CC1=NN=C(N1C2=CC=C(C=C2)Cl)SCC#C)OC

InChI

InChI=1S/C15H16ClN3O2S/c1-4-9-22-15-18-17-13(10-14(20-2)21-3)19(15)12-7-5-11(16)6-8-12/h1,5-8,14H,9-10H2,2-3H3