3-[2-[(1-methylpyrrol-2-yl)amino]-5-(1,2,4-triazol-1-yl)-1,3-thiazol-4-yl]benzenecarbonitrile

Systemtic Name: 3-[2-[(1-methylpyrrol-2-yl)amino]-5-(1,2,4-triazol-1-yl)-1,3-thiazol-4-yl]benzenecarbonitrile Openeye Name: 3-[2-[(1-methylpyrrol-2-yl)amino]-5-(1,2,4-triazol-1-yl)thiazol-4-yl]benzonitrile CAS Name: 3-[2-[(1-methyl-2-pyrrolyl)amino]-5-(1,2,4-triazol-1-yl)-4-thiazolyl]benzonitrile IUPAC Name: 3-[2-[(1-methylpyrrol-2-yl)amino]-5-(1,2,4-triazol-1-yl)-1,3-thiazol-4-yl]benzonitrile Traditional Name: 3-[2-[(1-methylpyrrol-2-yl)amino]-5-(1,2,4-triazol-1-yl)thiazol-4-yl]benzonitrile Formula: C17H13N7S MolecularWeight: 347.39702

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1NC2=NC(=C(S2)N3C=NC=N3)C4=CC=CC(=C4)C#N

Isomeric SMILES

CN1C=CC=C1NC2=NC(=C(S2)N3C=NC=N3)C4=CC=CC(=C4)C#N

InChI

InChI=1S/C17H13N7S/c1-23-7-3-6-14(23)21-17-22-15(13-5-2-4-12(8-13)9-18)16(25-17)24-11-19-10-20-24/h2-8,10-11H,1H3,(H,21,22)