4-azanyl-2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)methylsulfanyl]pyrimidine-5-carbonitrile

Systemtic Name: 4-azanyl-2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)methylsulfanyl]pyrimidine-5-carbonitrile Openeye Name: 4-amino-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]pyrimidine-5-carbonitrile CAS Name: 4-amino-2-[(1-phenyl-5-tetrazolyl)methylthio]-5-pyrimidinecarbonitrile IUPAC Name: 4-amino-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]pyrimidine-5-carbonitrile Traditional Name: 4-amino-2-[(1-phenyltetrazol-5-yl)methylthio]pyrimidine-5-carbonitrile Formula: C13H10N8S MolecularWeight: 310.3371

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=N2)CSC3=NC=C(C(=N3)N)C#N

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=N2)CSC3=NC=C(C(=N3)N)C#N

InChI

InChI=1S/C13H10N8S/c14-6-9-7-16-13(17-12(9)15)22-8-11-18-19-20-21(11)10-4-2-1-3-5-10/h1-5,7H,8H2,(H2,15,16,17)