3-cyclopropyl-5-[(E)-3-phenylprop-2-enyl]sulfanyl-4-prop-2-enyl-1,2,4-triazole

Systemtic Name: 3-cyclopropyl-5-[(E)-3-phenylprop-2-enyl]sulfanyl-4-prop-2-enyl-1,2,4-triazole Openeye Name: 4-allyl-3-[(E)-cinnamyl]sulfanyl-5-cyclopropyl-1,2,4-triazole CAS Name: 3-cyclopropyl-5-[[(E)-3-phenylprop-2-enyl]thio]-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-cyclopropyl-5-[(E)-3-phenylprop-2-enyl]sulfanyl-4-prop-2-enyl-1,2,4-triazole Traditional Name: 4-allyl-3-[[(E)-cinnamyl]thio]-5-cyclopropyl-1,2,4-triazole Formula: C17H19N3S MolecularWeight: 297.41786

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC=CC2=CC=CC=C2)C3CC3

Isomeric SMILES

C=CCN1C(=NN=C1SC/C=C/C2=CC=CC=C2)C3CC3

InChI

InChI=1S/C17H19N3S/c1-2-12-20-16(15-10-11-15)18-19-17(20)21-13-6-9-14-7-4-3-5-8-14/h2-9,15H,1,10-13H2/b9-6+