1-[3-(cyanomethyl)-1H-indol-5-yl]-3-methyl-thiourea

Systemtic Name: 1-[3-(cyanomethyl)-1H-indol-5-yl]-3-methyl-thiourea Openeye Name: 1-[3-(cyanomethyl)-1H-indol-5-yl]-3-methyl-thiourea CAS Name: 1-[3-(cyanomethyl)-1H-indol-5-yl]-3-methylthiourea IUPAC Name: 1-[3-(cyanomethyl)-1H-indol-5-yl]-3-methylthiourea Traditional Name: 1-[3-(cyanomethyl)-1H-indol-5-yl]-3-methyl-thiourea Formula: C12H12N4S MolecularWeight: 244.31548

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)NC1=CC2=C(C=C1)NC=C2CC#N

Isomeric SMILES

CNC(=S)NC1=CC2=C(C=C1)NC=C2CC#N

InChI

InChI=1S/C12H12N4S/c1-14-12(17)16-9-2-3-11-10(6-9)8(4-5-13)7-15-11/h2-3,6-7,15H,4H2,1H3,(H2,14,16,17)