3-(3,5-dimethoxyphenyl)-4-phenyl-5-prop-2-ynylsulfanyl-1,2,4-triazole

Systemtic Name: 3-(3,5-dimethoxyphenyl)-4-phenyl-5-prop-2-ynylsulfanyl-1,2,4-triazole Openeye Name: 3-(3,5-dimethoxyphenyl)-4-phenyl-5-prop-2-ynylsulfanyl-1,2,4-triazole CAS Name: 3-(3,5-dimethoxyphenyl)-4-phenyl-5-(prop-2-ynylthio)-1,2,4-triazole IUPAC Name: 3-(3,5-dimethoxyphenyl)-4-phenyl-5-prop-2-ynylsulfanyl-1,2,4-triazole Traditional Name: 3-(3,5-dimethoxyphenyl)-4-phenyl-5-(propargylthio)-1,2,4-triazole Formula: C19H17N3O2S MolecularWeight: 351.42218

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C2=NN=C(N2C3=CC=CC=C3)SCC#C)OC

Isomeric SMILES

COC1=CC(=CC(=C1)C2=NN=C(N2C3=CC=CC=C3)SCC#C)OC

InChI

InChI=1S/C19H17N3O2S/c1-4-10-25-19-21-20-18(22(19)15-8-6-5-7-9-15)14-11-16(23-2)13-17(12-14)24-3/h1,5-9,11-13H,10H2,2-3H3