3-but-2-ynylsulfanyl-4-phenyl-1,2,4-triazole

Systemtic Name: 3-but-2-ynylsulfanyl-4-phenyl-1,2,4-triazole Openeye Name: 3-but-2-ynylsulfanyl-4-phenyl-1,2,4-triazole CAS Name: 3-(but-2-ynylthio)-4-phenyl-1,2,4-triazole IUPAC Name: 3-but-2-ynylsulfanyl-4-phenyl-1,2,4-triazole Traditional Name: 3-(but-2-ynylthio)-4-phenyl-1,2,4-triazole Formula: C12H11N3S MolecularWeight: 229.30084

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCSC1=NN=CN1C2=CC=CC=C2

Isomeric SMILES

CC#CCSC1=NN=CN1C2=CC=CC=C2

InChI

InChI=1S/C12H11N3S/c1-2-3-9-16-12-14-13-10-15(12)11-7-5-4-6-8-11/h4-8,10H,9H2,1H3