4-phenylsulfanyl-N-(1H-1,2,4-triazol-5-yl)butanimidate

Systemtic Name: 4-phenylsulfanyl-N-(1H-1,2,4-triazol-5-yl)butanimidate Openeye Name: 4-phenylsulfanyl-N-(1H-1,2,4-triazol-5-yl)butanimidate CAS Name: 4-(phenylthio)-N-(1H-1,2,4-triazol-5-yl)butanimidate IUPAC Name: 4-phenylsulfanyl-N-(1H-1,2,4-triazol-5-yl)butanimidate Traditional Name: 4-(phenylthio)-N-(1H-1,2,4-triazol-5-yl)butyrimidate Formula: C12H13N4OS- MolecularWeight: 261.32282

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCCCC(=NC2=NC=NN2)[O-]

Isomeric SMILES

C1=CC=C(C=C1)SCCCC(=NC2=NC=NN2)[O-]

InChI

InChI=1S/C12H14N4OS/c17-11(15-12-13-9-14-16-12)7-4-8-18-10-5-2-1-3-6-10/h1-3,5-6,9H,4,7-8H2,(H2,13,14,15,16,17)/p-1