4-azanyl-2-[2-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]ethylsulfanyl]pyrimidine-5-carbonitrile

Systemtic Name: 4-azanyl-2-[2-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]ethylsulfanyl]pyrimidine-5-carbonitrile Openeye Name: 4-amino-2-[2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)ethylsulfanyl]pyrimidine-5-carbonitrile CAS Name: 4-amino-2-[2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)ethylthio]-5-pyrimidinecarbonitrile IUPAC Name: 4-amino-2-[2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)ethylsulfanyl]pyrimidine-5-carbonitrile Traditional Name: 4-amino-2-[2-(1,1,3-triketo-1,2-benzothiazol-2-yl)ethylthio]pyrimidine-5-carbonitrile Formula: C14H11N5O3S2 MolecularWeight: 361.39884

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(S2(=O)=O)CCSC3=NC=C(C(=N3)N)C#N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(S2(=O)=O)CCSC3=NC=C(C(=N3)N)C#N

InChI

InChI=1S/C14H11N5O3S2/c15-7-9-8-17-14(18-12(9)16)23-6-5-19-13(20)10-3-1-2-4-11(10)24(19,21)22/h1-4,8H,5-6H2,(H2,16,17,18)