3-[(4-methoxyphenyl)methyl]-4-(3-methoxypropyl)-5-prop-2-ynylsulfanyl-1,2,4-triazole

Systemtic Name: 3-[(4-methoxyphenyl)methyl]-4-(3-methoxypropyl)-5-prop-2-ynylsulfanyl-1,2,4-triazole Openeye Name: 3-[(4-methoxyphenyl)methyl]-4-(3-methoxypropyl)-5-prop-2-ynylsulfanyl-1,2,4-triazole CAS Name: 3-[(4-methoxyphenyl)methyl]-4-(3-methoxypropyl)-5-(prop-2-ynylthio)-1,2,4-triazole IUPAC Name: 3-[(4-methoxyphenyl)methyl]-4-(3-methoxypropyl)-5-prop-2-ynylsulfanyl-1,2,4-triazole Traditional Name: 4-(3-methoxypropyl)-3-p-anisyl-5-(propargylthio)-1,2,4-triazole Formula: C17H21N3O2S MolecularWeight: 331.43254

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C(=NN=C1SCC#C)CC2=CC=C(C=C2)OC

Isomeric SMILES

COCCCN1C(=NN=C1SCC#C)CC2=CC=C(C=C2)OC

InChI

InChI=1S/C17H21N3O2S/c1-4-12-23-17-19-18-16(20(17)10-5-11-21-2)13-14-6-8-15(22-3)9-7-14/h1,6-9H,5,10-13H2,2-3H3