3-(phenylmethyl)-5-(phenylmethylsulfanyl)-4-prop-2-enyl-1,2,4-triazole

Systemtic Name: 3-(phenylmethyl)-5-(phenylmethylsulfanyl)-4-prop-2-enyl-1,2,4-triazole Openeye Name: 4-allyl-3-benzyl-5-benzylsulfanyl-1,2,4-triazole CAS Name: 3-(phenylmethyl)-5-(phenylmethylthio)-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-benzyl-5-benzylsulfanyl-4-prop-2-enyl-1,2,4-triazole Traditional Name: 4-allyl-3-benzyl-5-(benzylthio)-1,2,4-triazole Formula: C19H19N3S MolecularWeight: 321.43926

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC2=CC=CC=C2)CC3=CC=CC=C3

Isomeric SMILES

C=CCN1C(=NN=C1SCC2=CC=CC=C2)CC3=CC=CC=C3

InChI

InChI=1S/C19H19N3S/c1-2-13-22-18(14-16-9-5-3-6-10-16)20-21-19(22)23-15-17-11-7-4-8-12-17/h2-12H,1,13-15H2