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

Systemtic Name: 2-[4-[(3-cyclopropyl-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-cyclopropyl-5-thioxo-1,2,4-triazol-1-yl)methyl]piperazin-1-yl]pyridine-4-carbonitrile CAS Name: 2-[4-[(3-cyclopropyl-4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-1-piperazinyl]-4-pyridinecarbonitrile IUPAC Name: 2-[4-[(3-cyclopropyl-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-cyclopropyl-5-thioxo-1,2,4-triazol-1-yl)methyl]piperazino]isonicotinonitrile Formula: C19H23N7S MolecularWeight: 381.49782

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23N7S/c1-2-7-25-18(16-3-4-16)22-26(19(25)27)14-23-8-10-24(11-9-23)17-12-15(13-20)5-6-21-17/h2,5-6,12,16H,1,3-4,7-11,14H2