tert-butyl N-[(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]carbamate

Systemtic Name: tert-butyl N-[(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]carbamate Openeye Name: tert-butyl N-[(4-allyl-5-thioxo-1H-1,2,4-triazol-3-yl)methyl]carbamate CAS Name: N-[(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]carbamate Traditional Name: N-[(4-allyl-5-thioxo-1H-1,2,4-triazol-3-yl)methyl]carbamic acid tert-butyl ester Formula: C11H18N4O2S MolecularWeight: 270.35122

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCC1=NNC(=S)N1CC=C

Isomeric SMILES

CC(C)(C)OC(=O)NCC1=NNC(=S)N1CC=C

InChI

InChI=1S/C11H18N4O2S/c1-5-6-15-8(13-14-9(15)18)7-12-10(16)17-11(2,3)4/h5H,1,6-7H2,2-4H3,(H,12,16)(H,14,18)