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

Systemtic Name: 2-[4-[(3-methyl-4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperazin-1-yl]pyridine-4-carbonitrile Openeye Name: 2-[4-[(4-allyl-3-methyl-5-thioxo-1,2,4-triazol-1-yl)methyl]piperazin-1-yl]pyridine-4-carbonitrile CAS Name: 2-[4-[(3-methyl-4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-1-piperazinyl]-4-pyridinecarbonitrile IUPAC Name: 2-[4-[(3-methyl-4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperazin-1-yl]pyridine-4-carbonitrile Traditional Name: 2-[4-[(4-allyl-3-methyl-5-thioxo-1,2,4-triazol-1-yl)methyl]piperazino]isonicotinonitrile Formula: C17H21N7S MolecularWeight: 355.46054

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=S)N1CC=C)CN2CCN(CC2)C3=NC=CC(=C3)C#N

Isomeric SMILES

CC1=NN(C(=S)N1CC=C)CN2CCN(CC2)C3=NC=CC(=C3)C#N

InChI

InChI=1S/C17H21N7S/c1-3-6-23-14(2)20-24(17(23)25)13-21-7-9-22(10-8-21)16-11-15(12-18)4-5-19-16/h3-5,11H,1,6-10,13H2,2H3