4-[2-[2,5-dimethyl-1-(1H-1,2,4-triazol-5-yl)pyrrol-3-yl]-2-oxidanylidene-ethoxy]-3-methoxy-benzenecarbonitrile

Systemtic Name: 4-[2-[2,5-dimethyl-1-(1H-1,2,4-triazol-5-yl)pyrrol-3-yl]-2-oxidanylidene-ethoxy]-3-methoxy-benzenecarbonitrile Openeye Name: 4-[2-[2,5-dimethyl-1-(1H-1,2,4-triazol-5-yl)pyrrol-3-yl]-2-oxo-ethoxy]-3-methoxy-benzonitrile CAS Name: 4-[2-[2,5-dimethyl-1-(1H-1,2,4-triazol-5-yl)-3-pyrrolyl]-2-oxoethoxy]-3-methoxybenzonitrile IUPAC Name: 4-[2-[2,5-dimethyl-1-(1H-1,2,4-triazol-5-yl)pyrrol-3-yl]-2-oxoethoxy]-3-methoxybenzonitrile Traditional Name: 4-[2-[2,5-dimethyl-1-(1H-1,2,4-triazol-5-yl)pyrrol-3-yl]-2-keto-ethoxy]-3-methoxy-benzonitrile Formula: C18H17N5O3 MolecularWeight: 351.35928

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=NC=NN2)C)C(=O)COC3=C(C=C(C=C3)C#N)OC

Isomeric SMILES

CC1=CC(=C(N1C2=NC=NN2)C)C(=O)COC3=C(C=C(C=C3)C#N)OC

InChI

InChI=1S/C18H17N5O3/c1-11-6-14(12(2)23(11)18-20-10-21-22-18)15(24)9-26-16-5-4-13(8-19)7-17(16)25-3/h4-7,10H,9H2,1-3H3,(H,20,21,22)