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

Systemtic Name: 2-[4-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanylmethyl]phenyl]benzenecarbonitrile Openeye Name: 2-[4-[(4-allyl-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]phenyl]benzonitrile CAS Name: 2-[4-[[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]methyl]phenyl]benzonitrile IUPAC Name: 2-[4-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanylmethyl]phenyl]benzonitrile Traditional Name: 2-[4-[[(4-allyl-5-methyl-1,2,4-triazol-3-yl)thio]methyl]phenyl]benzonitrile Formula: C20H18N4S MolecularWeight: 346.44872

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1CC=C)SCC2=CC=C(C=C2)C3=CC=CC=C3C#N

Isomeric SMILES

CC1=NN=C(N1CC=C)SCC2=CC=C(C=C2)C3=CC=CC=C3C#N

InChI

InChI=1S/C20H18N4S/c1-3-12-24-15(2)22-23-20(24)25-14-16-8-10-17(11-9-16)19-7-5-4-6-18(19)13-21/h3-11H,1,12,14H2,2H3