[2-[2-[(5-azanyl-1H-1,2,4-triazol-3-yl)amino]ethylsulfanyl]pyridin-3-yl]-phenyl-methanone

Systemtic Name: [2-[2-[(5-azanyl-1H-1,2,4-triazol-3-yl)amino]ethylsulfanyl]pyridin-3-yl]-phenyl-methanone Openeye Name: [2-[2-[(5-amino-1H-1,2,4-triazol-3-yl)amino]ethylsulfanyl]-3-pyridyl]-phenyl-methanone CAS Name: [2-[2-[(5-amino-1H-1,2,4-triazol-3-yl)amino]ethylthio]-3-pyridinyl]-phenylmethanone IUPAC Name: [2-[2-[(5-amino-1H-1,2,4-triazol-3-yl)amino]ethylsulfanyl]pyridin-3-yl]-phenylmethanone Traditional Name: [2-[2-[(5-amino-1H-1,2,4-triazol-3-yl)amino]ethylthio]-3-pyridyl]-phenyl-methanone Formula: C16H16N6OS MolecularWeight: 340.40284

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C2=C(N=CC=C2)SCCNC3=NNC(=N3)N

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C2=C(N=CC=C2)SCCNC3=NNC(=N3)N

InChI

InChI=1S/C16H16N6OS/c17-15-20-16(22-21-15)19-9-10-24-14-12(7-4-8-18-14)13(23)11-5-2-1-3-6-11/h1-8H,9-10H2,(H4,17,19,20,21,22)