2-[[(5Z)-5-indol-3-ylidene-4-(oxolan-2-ylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanenitrile

Systemtic Name: 2-[[(5Z)-5-indol-3-ylidene-4-(oxolan-2-ylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanenitrile Openeye Name: 2-[[(5Z)-5-indol-3-ylidene-4-(tetrahydrofuran-2-ylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanenitrile CAS Name: 2-[[(5Z)-5-(3-indolylidene)-4-(2-oxolanylmethyl)-1H-1,2,4-triazol-3-yl]thio]propanenitrile IUPAC Name: 2-[[(5Z)-5-indol-3-ylidene-4-(oxolan-2-ylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanenitrile Traditional Name: 2-[[(5Z)-5-indol-3-ylidene-4-(tetrahydrofurfuryl)-1H-1,2,4-triazol-3-yl]thio]propionitrile Formula: C18H19N5OS MolecularWeight: 353.44136

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)SC1=NNC(=C2C=NC3=CC=CC=C32)N1CC4CCCO4

Isomeric SMILES

CC(C#N)SC1=NN/C(=C/2\C=NC3=CC=CC=C32)/N1CC4CCCO4

InChI

InChI=1S/C18H19N5OS/c1-12(9-19)25-18-22-21-17(23(18)11-13-5-4-8-24-13)15-10-20-16-7-3-2-6-14(15)16/h2-3,6-7,10,12-13,21H,4-5,8,11H2,1H3/b17-15-