3-(4-methoxyphenyl)-4-methyl-5-propylsulfanyl-1,2,4-triazole

Systemtic Name: 3-(4-methoxyphenyl)-4-methyl-5-propylsulfanyl-1,2,4-triazole Openeye Name: 3-(4-methoxyphenyl)-4-methyl-5-propylsulfanyl-1,2,4-triazole CAS Name: 3-(4-methoxyphenyl)-4-methyl-5-(propylthio)-1,2,4-triazole IUPAC Name: 3-(4-methoxyphenyl)-4-methyl-5-propylsulfanyl-1,2,4-triazole Traditional Name: 3-(4-methoxyphenyl)-4-methyl-5-(propylthio)-1,2,4-triazole Formula: C13H17N3OS MolecularWeight: 263.35858

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NN=C(N1C)C2=CC=C(C=C2)OC

Isomeric SMILES

CCCSC1=NN=C(N1C)C2=CC=C(C=C2)OC

InChI

InChI=1S/C13H17N3OS/c1-4-9-18-13-15-14-12(16(13)2)10-5-7-11(17-3)8-6-10/h5-8H,4,9H2,1-3H3