4-[(E)-3-[1-(phenylmethyl)-1,2,3-triazol-4-yl]prop-2-enoyl]piperazine-1-carbothioamide

Systemtic Name: 4-[(E)-3-[1-(phenylmethyl)-1,2,3-triazol-4-yl]prop-2-enoyl]piperazine-1-carbothioamide Openeye Name: 4-[(E)-3-(1-benzyltriazol-4-yl)prop-2-enoyl]piperazine-1-carbothioamide CAS Name: 4-[(E)-1-oxo-3-[1-(phenylmethyl)-4-triazolyl]prop-2-enyl]-1-piperazinecarbothioamide IUPAC Name: 4-[(E)-3-(1-benzyltriazol-4-yl)prop-2-enoyl]piperazine-1-carbothioamide Traditional Name: 4-[(E)-3-(1-benzyltriazol-4-yl)acryloyl]piperazine-1-carbothioamide Formula: C17H20N6OS MolecularWeight: 356.4453

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C=CC2=CN(N=N2)CC3=CC=CC=C3)C(=S)N

Isomeric SMILES

C1CN(CCN1C(=O)/C=C/C2=CN(N=N2)CC3=CC=CC=C3)C(=S)N

InChI

InChI=1S/C17H20N6OS/c18-17(25)22-10-8-21(9-11-22)16(24)7-6-15-13-23(20-19-15)12-14-4-2-1-3-5-14/h1-7,13H,8-12H2,(H2,18,25)/b7-6+