4-[[4-[(3-cyclopropyl-4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[(3-cyclopropyl-4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[(4-allyl-3-cyclopropyl-5-thioxo-1,2,4-triazol-1-yl)methyl]piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[(3-cyclopropyl-4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-[(3-cyclopropyl-4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[(4-allyl-3-cyclopropyl-5-thioxo-1,2,4-triazol-1-yl)methyl]piperazino]methyl]benzonitrile Formula: C21H26N6S MolecularWeight: 394.53634

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN(C1=S)CN2CCN(CC2)CC3=CC=C(C=C3)C#N)C4CC4

Isomeric SMILES

C=CCN1C(=NN(C1=S)CN2CCN(CC2)CC3=CC=C(C=C3)C#N)C4CC4

InChI

InChI=1S/C21H26N6S/c1-2-9-26-20(19-7-8-19)23-27(21(26)28)16-25-12-10-24(11-13-25)15-18-5-3-17(14-22)4-6-18/h2-6,19H,1,7-13,15-16H2