ethyl 5-azanyl-4-cyano-3-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanylmethyl]thiophene-2-carboxylate

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanylmethyl]thiophene-2-carboxylate Openeye Name: ethyl 3-[(4-allyl-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-5-amino-4-cyano-thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanylmethyl]thiophene-2-carboxylate Traditional Name: 3-[[(4-allyl-5-methyl-1,2,4-triazol-3-yl)thio]methyl]-5-amino-4-cyano-thiophene-2-carboxylic acid ethyl ester Formula: C15H17N5O2S2 MolecularWeight: 363.45778

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)CSC2=NN=C(N2CC=C)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)CSC2=NN=C(N2CC=C)C

InChI

InChI=1S/C15H17N5O2S2/c1-4-6-20-9(3)18-19-15(20)23-8-11-10(7-16)13(17)24-12(11)14(21)22-5-2/h4H,1,5-6,8,17H2,2-3H3