3-chloranyl-4-[[5-(3-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 3-chloranyl-4-[[5-(3-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 4-[[4-allyl-5-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-3-chloro-benzonitrile CAS Name: 3-chloro-4-[[[5-(3-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]methyl]benzonitrile IUPAC Name: 3-chloro-4-[[5-(3-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile Traditional Name: 4-[[[4-allyl-5-(3-methoxyphenyl)-1,2,4-triazol-3-yl]thio]methyl]-3-chloro-benzonitrile Formula: C20H17ClN4OS MolecularWeight: 396.89318

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=NN=C(N2CC=C)SCC3=C(C=C(C=C3)C#N)Cl

Isomeric SMILES

COC1=CC=CC(=C1)C2=NN=C(N2CC=C)SCC3=C(C=C(C=C3)C#N)Cl

InChI

InChI=1S/C20H17ClN4OS/c1-3-9-25-19(15-5-4-6-17(11-15)26-2)23-24-20(25)27-13-16-8-7-14(12-22)10-18(16)21/h3-8,10-11H,1,9,13H2,2H3