5-(3-phenylpropylsulfanyl)-1H-1,2,4-triazole

Systemtic Name: 5-(3-phenylpropylsulfanyl)-1H-1,2,4-triazole Openeye Name: 5-(3-phenylpropylsulfanyl)-1H-1,2,4-triazole CAS Name: 5-(3-phenylpropylthio)-1H-1,2,4-triazole IUPAC Name: 5-(3-phenylpropylsulfanyl)-1H-1,2,4-triazole Traditional Name: 5-(3-phenylpropylthio)-1H-1,2,4-triazole Formula: C11H13N3S MolecularWeight: 219.30602

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCSC2=NC=NN2

Isomeric SMILES

C1=CC=C(C=C1)CCCSC2=NC=NN2

InChI

InChI=1S/C11H13N3S/c1-2-5-10(6-3-1)7-4-8-15-11-12-9-13-14-11/h1-3,5-6,9H,4,7-8H2,(H,12,13,14)