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

Systemtic Name: 3-methyl-4-(phenylmethyl)-5-propylsulfanyl-1,2,4-triazole Openeye Name: 4-benzyl-3-methyl-5-propylsulfanyl-1,2,4-triazole CAS Name: 3-methyl-4-(phenylmethyl)-5-(propylthio)-1,2,4-triazole IUPAC Name: 4-benzyl-3-methyl-5-propylsulfanyl-1,2,4-triazole Traditional Name: 4-benzyl-3-methyl-5-(propylthio)-1,2,4-triazole Formula: C13H17N3S MolecularWeight: 247.35918

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NN=C(N1CC2=CC=CC=C2)C

Isomeric SMILES

CCCSC1=NN=C(N1CC2=CC=CC=C2)C

InChI

InChI=1S/C13H17N3S/c1-3-9-17-13-15-14-11(2)16(13)10-12-7-5-4-6-8-12/h4-8H,3,9-10H2,1-2H3