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

Systemtic Name: [4-[(3-methyl-4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperazin-1-yl]-(5-nitrothiophen-2-yl)methanone Openeye Name: [4-[(4-allyl-3-methyl-5-thioxo-1,2,4-triazol-1-yl)methyl]piperazin-1-yl]-(5-nitro-2-thienyl)methanone CAS Name: [4-[(3-methyl-4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-1-piperazinyl]-(5-nitro-2-thiophenyl)methanone IUPAC Name: [4-[(3-methyl-4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperazin-1-yl]-(5-nitrothiophen-2-yl)methanone Traditional Name: [4-[(4-allyl-3-methyl-5-thioxo-1,2,4-triazol-1-yl)methyl]piperazino]-(5-nitro-2-thienyl)methanone Formula: C16H20N6O3S2 MolecularWeight: 408.4984

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=S)N1CC=C)CN2CCN(CC2)C(=O)C3=CC=C(S3)[N+](=O)[O-]

Isomeric SMILES

CC1=NN(C(=S)N1CC=C)CN2CCN(CC2)C(=O)C3=CC=C(S3)[N+](=O)[O-]

InChI

InChI=1S/C16H20N6O3S2/c1-3-6-20-12(2)17-21(16(20)26)11-18-7-9-19(10-8-18)15(23)13-4-5-14(27-13)22(24)25/h3-5H,1,6-11H2,2H3