4-[[4-azanyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]butanenitrile

Systemtic Name: 4-[[4-azanyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]butanenitrile Openeye Name: 4-[[4-amino-5-(2-methyl-3-furyl)-1,2,4-triazol-3-yl]sulfanyl]butanenitrile CAS Name: 4-[[4-amino-5-(2-methyl-3-furanyl)-1,2,4-triazol-3-yl]thio]butanenitrile IUPAC Name: 4-[[4-amino-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]butanenitrile Traditional Name: 4-[[4-amino-5-(2-methyl-3-furyl)-1,2,4-triazol-3-yl]thio]butyronitrile Formula: C11H13N5OS MolecularWeight: 263.31882

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CO1)C2=NN=C(N2N)SCCCC#N

Isomeric SMILES

CC1=C(C=CO1)C2=NN=C(N2N)SCCCC#N

InChI

InChI=1S/C11H13N5OS/c1-8-9(4-6-17-8)10-14-15-11(16(10)13)18-7-3-2-5-12/h4,6H,2-3,7,13H2,1H3