3-methylsulfanyl-1-[(E)-1-phenylbut-1-enyl]-1,2,4-triazole

Systemtic Name: 3-methylsulfanyl-1-[(E)-1-phenylbut-1-enyl]-1,2,4-triazole Openeye Name: 3-methylsulfanyl-1-[(E)-1-phenylbut-1-enyl]-1,2,4-triazole CAS Name: 3-(methylthio)-1-[(E)-1-phenylbut-1-enyl]-1,2,4-triazole IUPAC Name: 3-methylsulfanyl-1-[(E)-1-phenylbut-1-enyl]-1,2,4-triazole Traditional Name: 3-(methylthio)-1-[(E)-1-phenylbut-1-enyl]-1,2,4-triazole Formula: C13H15N3S MolecularWeight: 245.3433

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Descriptors Computed from Structure

Canonical SMILES:

CCC=C(C1=CC=CC=C1)N2C=NC(=N2)SC

Isomeric SMILES

CC/C=C(\C1=CC=CC=C1)/N2C=NC(=N2)SC

InChI

InChI=1S/C13H15N3S/c1-3-7-12(11-8-5-4-6-9-11)16-10-14-13(15-16)17-2/h4-10H,3H2,1-2H3/b12-7+