4-azanyl-6-phenyl-3-prop-1-ynylsulfanyl-1,2,4-triazin-5-one

Systemtic Name: 4-azanyl-6-phenyl-3-prop-1-ynylsulfanyl-1,2,4-triazin-5-one Openeye Name: 4-amino-6-phenyl-3-prop-1-ynylsulfanyl-1,2,4-triazin-5-one CAS Name: 4-amino-6-phenyl-3-(prop-1-ynylthio)-1,2,4-triazin-5-one IUPAC Name: 4-amino-6-phenyl-3-prop-1-ynylsulfanyl-1,2,4-triazin-5-one Traditional Name: 4-amino-6-phenyl-3-(prop-1-ynylthio)-1,2,4-triazin-5-one Formula: C12H10N4OS MolecularWeight: 258.299

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC#CSC1=NN=C(C(=O)N1N)C2=CC=CC=C2

Isomeric SMILES

CC#CSC1=NN=C(C(=O)N1N)C2=CC=CC=C2

InChI

InChI=1S/C12H10N4OS/c1-2-8-18-12-15-14-10(11(17)16(12)13)9-6-4-3-5-7-9/h3-7H,13H2,1H3