2-[(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanylmethyl]indolizine-1-carbonitrile

Systemtic Name: 2-[(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanylmethyl]indolizine-1-carbonitrile Openeye Name: 2-[(4-allyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]indolizine-1-carbonitrile CAS Name: 2-[[(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]methyl]-1-indolizinecarbonitrile IUPAC Name: 2-[(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanylmethyl]indolizine-1-carbonitrile Traditional Name: 2-[[(4-allyl-5-cyclopropyl-1,2,4-triazol-3-yl)thio]methyl]indolizine-1-carbonitrile Formula: C18H17N5S MolecularWeight: 335.42608

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC2=CN3C=CC=CC3=C2C#N)C4CC4

Isomeric SMILES

C=CCN1C(=NN=C1SCC2=CN3C=CC=CC3=C2C#N)C4CC4

InChI

InChI=1S/C18H17N5S/c1-2-8-23-17(13-6-7-13)20-21-18(23)24-12-14-11-22-9-4-3-5-16(22)15(14)10-19/h2-5,9,11,13H,1,6-8,12H2