4-azanyl-2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]pyrimidine-5-carbonitrile

Systemtic Name: 4-azanyl-2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]pyrimidine-5-carbonitrile Openeye Name: 4-amino-2-[[4-phenyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]pyrimidine-5-carbonitrile CAS Name: 4-amino-2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]-5-pyrimidinecarbonitrile IUPAC Name: 4-amino-2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]pyrimidine-5-carbonitrile Traditional Name: 4-amino-2-[[4-phenyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]pyrimidine-5-carbonitrile Formula: C18H12N8S MolecularWeight: 372.40648

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=C2SC3=NC=C(C(=N3)N)C#N)C4=CC=NC=C4

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=C2SC3=NC=C(C(=N3)N)C#N)C4=CC=NC=C4

InChI

InChI=1S/C18H12N8S/c19-10-13-11-22-17(23-15(13)20)27-18-25-24-16(12-6-8-21-9-7-12)26(18)14-4-2-1-3-5-14/h1-9,11H,(H2,20,22,23)