3-(3-phenylpropylsulfanyl)-4-propan-2-yl-1,2,4-triazole

Systemtic Name: 3-(3-phenylpropylsulfanyl)-4-propan-2-yl-1,2,4-triazole Openeye Name: 4-isopropyl-3-(3-phenylpropylsulfanyl)-1,2,4-triazole CAS Name: 3-(3-phenylpropylthio)-4-propan-2-yl-1,2,4-triazole IUPAC Name: 3-(3-phenylpropylsulfanyl)-4-propan-2-yl-1,2,4-triazole Traditional Name: 4-isopropyl-3-(3-phenylpropylthio)-1,2,4-triazole Formula: C14H19N3S MolecularWeight: 261.38576

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=NN=C1SCCCC2=CC=CC=C2

Isomeric SMILES

CC(C)N1C=NN=C1SCCCC2=CC=CC=C2

InChI

InChI=1S/C14H19N3S/c1-12(2)17-11-15-16-14(17)18-10-6-9-13-7-4-3-5-8-13/h3-5,7-8,11-12H,6,9-10H2,1-2H3