3-(methoxymethyl)-5-(3-phenylpropylsulfanyl)-4-prop-2-enyl-1,2,4-triazole

Systemtic Name: 3-(methoxymethyl)-5-(3-phenylpropylsulfanyl)-4-prop-2-enyl-1,2,4-triazole Openeye Name: 4-allyl-3-(methoxymethyl)-5-(3-phenylpropylsulfanyl)-1,2,4-triazole CAS Name: 3-(methoxymethyl)-5-(3-phenylpropylthio)-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-(methoxymethyl)-5-(3-phenylpropylsulfanyl)-4-prop-2-enyl-1,2,4-triazole Traditional Name: 4-allyl-3-(methoxymethyl)-5-(3-phenylpropylthio)-1,2,4-triazole Formula: C16H21N3OS MolecularWeight: 303.42244

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Descriptors Computed from Structure

Canonical SMILES:

COCC1=NN=C(N1CC=C)SCCCC2=CC=CC=C2

Isomeric SMILES

COCC1=NN=C(N1CC=C)SCCCC2=CC=CC=C2

InChI

InChI=1S/C16H21N3OS/c1-3-11-19-15(13-20-2)17-18-16(19)21-12-7-10-14-8-5-4-6-9-14/h3-6,8-9H,1,7,10-13H2,2H3